SCHEMBL6949254

SCHEMBL6949254

Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX15 P16050 4/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAP2 P11137 2/20 0.46
GPR17 Q13304 1/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL6953887 0.90 ALOX15 (0.50) ALOX15GPR17
SCHEMBL7503753 0.89 ENPP2 (0.50) MEN1KMT2AALOX15GPR17KDM4E
SCHEMBL7508221 0.87 PARP1 (0.49) MEN1KMT2AALOX15MAP2
SCHEMBL7500832 0.86 GPR17 (0.41) MEN1KMT2AALOX15GPR17KDM4E
SCHEMBL6953292 0.85 ALOX15 (0.45) NPC1RAB9AALOX15
SCHEMBL7506835 0.85 ALOX15 (0.53) ALOX15KDM4E
SCHEMBL7512342 0.84 MAP2K1 (0.44) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL7506749 0.83 GPR17 (0.41) MEN1KMT2AALOX15GPR17KDM4E
SCHEMBL4333071 0.83 GPR17 (0.58) MEN1KMT2AGPR17KDM4ELMNA
SCHEMBL7505486 0.82 MAP2 (0.43) ALOX15MAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP claimed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US claimed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP claimed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO claimed
EP-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP disclosed
EP-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP disclosed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US disclosed
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed