SCHEMBL7501433

SCHEMBL7501433

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL7505832 0.93 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL7506712 0.93 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL7502054 0.88 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL7503090 0.87 GSK3B (0.49) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL7501923 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL7504271 0.84 KDM4E (0.47) KDM4EMEN1KMT2ATP53ALOX15
SCHEMBL6949166 0.84 RAB9A (0.43) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL7514680 0.84 GSK3B (0.44) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL6954951 0.83 ENPP2 (0.44) ALOX15
SCHEMBL6947113 0.83 ALOX15 (0.53) 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 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