SCHEMBL7501879

SCHEMBL7501879

Nc1c(C(=O)c2ccoc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.40
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL6949254 0.81 MEN1 (0.49) GPR17KDM4EHPGDMEN1LMNA
SCHEMBL6953887 0.80 ALOX15 (0.50) GPR17ALOX15
SCHEMBL7508887 0.80 MCL1 (0.42) MCL1KDM4EHPGDMEN1MAPK1
SCHEMBL7500832 0.79 GPR17 (0.41) GPR17KDM4EHPGDMEN1LMNA
SCHEMBL7506749 0.79 GPR17 (0.41) GPR17KDM4EHPGDMEN1LMNA
SCHEMBL8116556 0.79 KDM4E (0.39) MCL1KDM4EHPGDMEN1KMT2A
SCHEMBL7503753 0.77 ENPP2 (0.50) GPR17KDM4EHPGDMEN1LMNA
SCHEMBL7508221 0.77 PARP1 (0.49) MEN1KMT2AALOX15GAA
SCHEMBL4333071 0.76 GPR17 (0.58) GPR17KDM4EHPGDMEN1LMNA
SCHEMBL7508566 0.76 MCL1 (0.47) MCL1KDM4EHPGDLMNAALOX15

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