SCHEMBL7262467

SCHEMBL7262467

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.79
▸ MEN1 O00255 4/20 0.70
▸ KMT2A Q03164 4/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ RECQL P46063 2/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ GLA P06280 2/20 0.70
▸ KDM4E B2RXH2 3/20 0.69
▸ POLB P06746 1/20 0.69
▸ MAPT P10636 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ BLM P54132 1/20 0.69
▸ CYP3A4 P08684 1/20 0.67
▸ CASP1 P29466 1/20 0.67
▸ CASP7 P55210 1/20 0.67
▸ HBB P68871 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ STAT6 P42226 1/20 0.67

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
SCHEMBL27367949 0.91 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8484231 0.90 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27595211 0.90 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7258182 0.89 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27818301 0.89 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8483239 0.89 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4272312 0.89 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1004508 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29994151 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27827045 0.89 TOP1 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968213-B1 ALKYNYL-SUBSTITUTED CAMPTOTHECINS AND PROCESS FOR THEIR PREPARATION PHARMACIA ITALIA SPA (IT) 2003-01-22 — — EP disclosed
US-6420379-B1 ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-16 — — US disclosed
US-6211192-B1 ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-04-03 — — US disclosed
EP-0968213-A1 ALKYNYL-SUBSTITUTED CAMPTOTHECINS AND PROCESS FOR THEIR PREPARATION Pharmacia & Upjohn S.p.A. (IT) 2000-01-05 — — EP disclosed
US-5856333-A ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-05 — — US disclosed
WO-1998035969-A1 ALKYNYL-SUBSTITUTED CAMPTOTHECINS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1998-08-20 — — WO disclosed
EP-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP disclosed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — WO disclosed
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