SCHEMBL7501367

SCHEMBL7501367

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

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
GPR17 Q13304 1/20 0.52
MAPK1 P28482 1/20 0.49
BCL2 P10415 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL7508178 0.90 KDM4E (0.51) KDM4EMEN1KMT2AGPR17MAPK1
SCHEMBL8543371 0.86 GPR17 (0.52) KDM4EMEN1KMT2AGPR17MAPK1
SCHEMBL7503003 0.85 KDM4E (0.54) KDM4EMEN1KMT2A
SCHEMBL7506093 0.85 KDM4E (0.47) KDM4EMEN1KMT2AGPR17MAPK1
SCHEMBL7507314 0.85 KDM4E (0.47) KDM4EMEN1KMT2AGPR17MAPK1
SCHEMBL7506604 0.85 ALOX15 (0.54) KDM4EMEN1KMT2A
SCHEMBL7505821 0.84 KDM4E (0.50) KDM4EMEN1KMT2AGPR17MAPK1
SCHEMBL7512559 0.82 ALOX15 (0.57) KDM4EMEN1KMT2A
SCHEMBL4342284 0.82 MAPT (0.56) KDM4EMEN1KMT2AGPR17
SCHEMBL7505416 0.82 KDM4E (0.50) KDM4EMEN1KMT2A

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