SCHEMBL7501070

SCHEMBL7501070

CC(=O)c1[nH]c2cc(Cl)ccc2c1N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.53
MAP2 P11137 1/20 0.50
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GPR17 Q13304 1/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL4333071 0.85 GPR17 (0.58) KDM4EHPGDGPR17KMT2ALMNA
SCHEMBL7503275 0.83 ALOX15 (0.59) ALOX15GPR17
SCHEMBL7513253 0.83 ALOX15 (0.45) ALOX15KDM4EGAAHPGDUSP2
SCHEMBL8538872 0.83 KDM4E (0.70) ALOX15KDM4EGAAHPGDUSP2
SCHEMBL8050911 0.80 ALOX15 (0.51) ALOX15KDM4EGAAHPGDUSP2
SCHEMBL14174311 0.80 ALOX15 (0.70) ALOX15KDM4EGAAHPGDALDH1A1
SCHEMBL6949254 0.79 MEN1 (0.49) ALOX15MAP2KDM4EHPGDGPR17
SCHEMBL6953887 0.78 ALOX15 (0.50) ALOX15GPR17
SCHEMBL13758133 0.78 KMT2A (0.44) ALOX15KDM4EGAAHPGDUSP2
SCHEMBL7508178 0.77 KDM4E (0.51) ALOX15MAP2KDM4EHPGDALDH1A1

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