SCHEMBL7501923

SCHEMBL7501923

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCL1 Q07820 1/20 0.40
ALOX15 P16050 2/20 0.39
CYP2B6 P20813 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7511408 0.93 KDM4E (0.48) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL7505878 0.93 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL7512389 0.89 MAPT (0.47) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL7502054 0.88 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL7503090 0.87 GSK3B (0.49) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL7515430 0.87 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL7501433 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL7511741 0.85 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL7501468 0.85 KDM4E (0.44) KDM4EALDH1A1HPGDMCL1ALOX15
SCHEMBL7504271 0.84 KDM4E (0.47) KDM4EALOX15

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 8 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-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