SCHEMBL6963053

SCHEMBL6963053

N=C1NC(=O)C(Cc2cnc3cc(OCc4ccccc4C(F)(F)F)ccc3c2)S1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.43
FFAR1 O14842 8/20 0.38
PPARA Q07869 5/20 0.37
MAOA P21397 1/20 0.37
PPARG P37231 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
AR P10275 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6955421 0.91 FFAR1 (0.47) FFAR1PPARAPPARG
SCHEMBL6959497 0.85 MAOB (0.55) MAOBFFAR1PPARAMAOAPPARG
SCHEMBL6964545 0.83 PPARG (0.46) FFAR1PPARAPPARG
SCHEMBL6956226 0.78 PPARG (0.52) MAOBFFAR1PPARAPPARG
SCHEMBL4239883 0.78 MAOB (0.51) MAOBFFAR1PPARA
SCHEMBL6959041 0.78 FFAR1 (0.47) FFAR1PPARAPPARG
SCHEMBL6966643 0.78 FFAR1 (0.52) FFAR1PPARAPPARG
SCHEMBL6957024 0.77 PPARG (0.49) FFAR1PPARAPPARG
SCHEMBL6961699 0.77 PPARG (0.41) FFAR1PPARAPPARG
SCHEMBL6959897 0.77 KDR (0.47) MAOBFFAR1PPARAPPARG

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-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
CN-1071333-C Quinoline derivative NIPPON CHEMIPHAR CO (JP) 2001-09-19 CN disclosed
CN-1170411-A Quinoline derivative NIPPON CHEMIPHAR CO (JP) 1998-01-14 CN disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed