SCHEMBL6947113

SCHEMBL6947113

CCOC(=O)Nc1c(C(=O)c2cccc(Cl)c2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 14/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TP53 P04637 1/20 0.48
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6949026 0.94 ALOX15 (0.52) ALOX15ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6947587 0.93 ALOX15 (0.54) ALOX15ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7502054 0.86 KDM4E (0.46) ALOX15ALDH1A1TP53KDM4EHPGD
SCHEMBL6954951 0.85 ENPP2 (0.44) ALOX15
SCHEMBL7503090 0.85 GSK3B (0.49) ALOX15ALDH1A1HSD17B10TP53KDM4E
SCHEMBL7504271 0.84 KDM4E (0.47) ALOX15MEN1KMT2ATP53KDM4E
SCHEMBL7501433 0.83 KDM4E (0.49) ALOX15ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7514680 0.82 GSK3B (0.44) ALOX15ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6954922 0.81 PKM (0.41) ALOX15ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6946118 0.81 ALDH1A1 (0.54) ALOX15ALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP claimed
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US claimed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP claimed
EP-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP disclosed
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US disclosed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP disclosed