SCHEMBL3850845

SCHEMBL3850845

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(Cl)c(Cl)ccc3nc2-1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 1.00
▸ MEN1 O00255 4/20 0.75
▸ KMT2A Q03164 4/20 0.75
▸ SMN1; SMN2 Q16637 3/20 0.75
▸ ALDH1A1 P00352 3/20 0.75
▸ RECQL P46063 2/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ GLA P06280 2/20 0.75
▸ KDM4E B2RXH2 3/20 0.74
▸ POLB P06746 1/20 0.74
▸ MAPT P10636 1/20 0.74
▸ RAB9A P51151 1/20 0.74
▸ BLM P54132 1/20 0.74
▸ CYP3A4 P08684 1/20 0.72
▸ CASP1 P29466 1/20 0.72
▸ CASP7 P55210 1/20 0.72
▸ HBB P68871 1/20 0.72
▸ TP53 P04637 1/20 0.72
▸ HPGD P15428 1/20 0.72
▸ STAT6 P42226 1/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27420812 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27603460 0.92 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6599316 0.92 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1007033 0.90 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27650420 0.90 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27451416 0.89 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29056165 0.88 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27170416 0.88 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18251452 0.87 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16214743 0.87 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007095389-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH CAMPTOTHECINE N-OXIDE AND ANALOGS NOVACEA, INC. (US) 2007-08-23 — — WO claimed
EP-2042194-A2 Treatment of refractory human tumors with epidermal growth factor receptor antagonists IMCLONE SYSTEMS, INC. (US) 2009-04-01 — — EP disclosed
WO-2007095389-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH CAMPTOTHECINE N-OXIDE AND ANALOGS NOVACEA, INC. (US) 2007-08-23 — — WO disclosed
US-20050112120-A1 Treatment of refractory human tumors with epidermal growth factor receptor antagonists IMCLONE LLC 2005-05-26 — — US disclosed
EP-1218032-A4 TREATMENT OF REFRACTORY HUMAN TUMORS WITH EPIDERMAL GROWTH FACTOR RECEPTOR ANTAGONISTS IMCLONE SYSTEMS INC (US) 2005-05-25 — — EP disclosed
US-20030202973-A1 Treatment of refractory human tumors with epidermal growth factor receptor and HER1 mitogenic ligand (EGFRML) antagonists DR. GEORGE PIECZENIK (US) 2003-10-30 — — US disclosed
US-20030157104-A1 Treatment of refractory human tumors with epidermal growth factor receptor antagonists WAKSAL HARLAN W (US) 2003-08-21 — — US disclosed
EP-0831825-B1 PHARMACEUTICAL FORMULATIONS OF HIGHLY LIPOPHILIC CAMPTOTHECIN DERIVATIVES BIONUMERIK PHARMACEUTICALS INC (US) 2003-04-23 — — EP disclosed
EP-1218032-A1 TREATMENT OF REFRACTORY HUMAN TUMORS WITH EPIDERMAL GROWTH FACTOR RECEPTOR ANTAGONISTS IMCLONE SYSTEMS, INC. (US) 2002-07-03 — — EP disclosed
US-20020012663-A1 Treatment of refractory human tumors with epidermal growth factor receptor antagonists WAKSAL HARLAN W (US) 2002-01-31 — — US disclosed
WO-2000069459-A1 TREATMENT OF REFRACTORY HUMAN TUMORS WITH EPIDERMAL GROWTH FACTOR RECEPTOR ANTAGONISTS IMCLONE SYSTEMS INCORPORATED (US) 2000-11-23 — — WO disclosed
US-5958937-A SOLUTION OF LIPOPHILIC, POORLY WATER SOLUBLE A-RING SUBSTITUTED CAMPTOTHECIN DERIVATIVES DISSOLVED OR SUSPENDED IN N-METHYL-2-PYRROLIDINONE; USE AS PHARMACEUTICAL FOR TREATING CANCER IN HUMANS BIONUMERIK PHARMACEUTICALS, INC. 1999-09-28 — — US disclosed
US-5955467-A INJECTABLE STERILE SOLUTIONS, ANTITUMOR COMPOSITIONS, SOLUTIONS AND SUSPENSIONS COMPRISING N-METHYL-2-PYRROLIDINONE AND A HIGHLY LIPOPHILIC CAMPTOTHECIN DERIVATIVE USED TO TREAT HUMAN CANCERS BIONUMERIK PHARMACEUTICALS, INC. (US) 1999-09-21 — — US disclosed
US-5900419-A SOLUTION OR SUSPENSION OF CAMPTOTHECIN DERIVATIVE IN N-METHYL-2-PYRROLIDONE, PHARMACEUTICALLY ACCEPTABLE ACID, POLYETHYLENE GLYCOL, LOWER ALCOHOL OR BENZYL ALCOHOL BIONUMERIK PHARMACEUTICALS, INC. (US) 1999-05-04 — — US disclosed
US-5880133-A MIXTURE CONTAINING N-METHYLPYRROLIDONE AND AN ACID EXCIPIENT BIONUMERIK PHARMACEUTICALS, INC. (US) 1999-03-09 — — US disclosed
US-5859023-A Formulations and compositions of poorly water soluble camptothecin derivatives BIONUMERIK PHARMACEUTICALS, INC. (US) 1999-01-12 — — US disclosed
US-5859022-A SUSPENSIONS IN N-METHYL-2-PYRROLIDINONE; FOR ADMINISTRATION TO A PATIENT WITH CANCER BIONUMERIK PHARMACEUTICALS, INC. (US) 1999-01-12 — — US disclosed
EP-0831825-A1 PHARMACEUTICAL FORMULATIONS OF HIGHLY LIPOPHILIC CAMPTOTHECIN DERIVATIVES BIONUMERIK PHARMACEUTICALS, INC. (US) 1998-04-01 — — EP disclosed
US-5726181-A Formulations and compositions of poorly water soluble camptothecin derivatives BIONUMERIK PHARMACEUTICALS, INC. (US) 1998-03-10 — — US disclosed
WO-1996039143-A1 PHARMACEUTICAL FORMULATIONS OF HIGHLY LIPOPHILIC CAMPTOTHECIN DERIVATIVES BIONUMERIK PHARMACEUTICALS, INC. (US) 1996-12-12 — — WO disclosed
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