SCHEMBL8480812

SCHEMBL8480812

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cccc(CCC(N)=O)c3nc2-1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ GLA P06280 3/20 0.67
▸ TP53 P04637 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ BLM P54132 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ HBB P68871 2/20 0.67
▸ STAT6 P42226 1/20 0.67
▸ CHEK1 O14757 1/20 0.67
▸ HDAC3 O15379 1/20 0.67
▸ ABCC4 O15439 1/20 0.67
▸ GMNN O75496 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ CYP1A2 P05177 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
SCHEMBL27464835 1.00 TOP1 (0.67) TOP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL27478380 0.93 TOP1 (0.68) TOP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8486044 0.93 TOP1 (0.69) TOP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8486189 0.93 TOP1 (0.68) TOP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL27478769 0.91 TOP1 (0.80) TOP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8481200 0.91 TOP1 (0.80) TOP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8486195 0.90 TOP1 (0.76) TOP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL27547279 0.90 TOP1 (0.76) TOP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8486186 0.90 TOP1 (0.67) TOP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL27478378 0.90 TOP1 (0.67) TOP1KDM4EALDH1A1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP claimed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — WO claimed
US-5856333-A ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-05 — — US 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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