SCHEMBL7512477

SCHEMBL7512477

COc1ccc(C(=O)c2[nH]c3cc(Cl)ccc3c2NC(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 5/20 0.47
RAB9A P51151 2/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALOX15 P16050 2/20 0.46
MCL1 Q07820 1/20 0.46
MAP2 P11137 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 3/20 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
SCHEMBL7506093 0.91 KDM4E (0.47) KDM4EALDH1A1HPGDMAPK1MEN1
SCHEMBL7502672 0.88 MAPT (0.53) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL7506091 0.87 KDM4E (0.44) KDM4EMEN1KMT2AALOX15
SCHEMBL7512250 0.87 IDO1 (0.44) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL7507897 0.87 MAPT (0.50) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL7507628 0.86 ALOX15 (0.43) KDM4EMAPK1MEN1KMT2AALOX15
SCHEMBL7503003 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL8125968 0.84 KDM4E (0.47) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL7503293 0.84 KDM4E (0.43) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL7512768 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1KMT2A

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 4 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 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
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed