SCHEMBL8631496

SCHEMBL8631496

Cc1cc(F)ccc1-c1c[nH]nc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
FFAR4 Q5NUL3 3/20 0.42
TSHR P16473 2/20 0.41
FABP4 P15090 2/20 0.41
FABP5 Q01469 2/20 0.41
CYTH2 Q99418 2/20 0.40
MAP2K4 P45985 2/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
MAP2K7 O14733 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP17A1 P05093 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
SCHEMBL8759075 0.91 MCL1 (0.41) MAPK14RXFP1FFAR4TSHRMAP2K4
SCHEMBL8627985 0.88 FFAR4 (0.50) FFAR4TSHRCYTH2KDM4E
SCHEMBL8759199 0.88 CYP17A1 (0.45) MAPK14FFAR4MAP2K4PIK3CDPIK3CA
SCHEMBL8632663 0.86 CYP17A1 (0.48) MAPK14MAP2K4PIK3CDPIK3CAPIK3CB
SCHEMBL8627628 0.85 FFAR4 (0.44) RXFP1FFAR4TSHRCYTH2KDM4E
SCHEMBL8631178 0.81 STAT3 (0.47) MAPK14RXFP1FFAR4TSHRMAP2K4
SCHEMBL8629484 0.81 MAP2K4 (0.45) MAPK14MAP2K4PIK3CDPIK3CAPIK3CB
SCHEMBL8632810 0.80 STAT3 (0.42) MAPK14FFAR4TSHRCYTH2
SCHEMBL8629394 0.80 KDM4E (0.40) MAPK14RXFP1FFAR4KDM4E
SCHEMBL8630028 0.78 ALDH1A1 (0.45) FFAR4TSHRCYTH2PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed