SCHEMBL8797315

SCHEMBL8797315

Cc1ccc2c(c1)C(=O)N(C(C)(C)COc1ccc(CC3SC(=O)NC3=O)cc1)CN2c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.44
PPARG P37231 8/20 0.44
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARA Q07869 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MPC2 O95563 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL8796820 0.91 PPARG (0.47) FFAR1PPARGMEN1ALDH1A1TP53
SCHEMBL8796710 0.85 FFAR1 (0.48) FFAR1PPARGMEN1ALDH1A1TP53
SCHEMBL8797317 0.84 ALDH1A1 (0.33) ALDH1A1TP53MAPTKMT2AHRH3
SCHEMBL8796703 0.76 FFAR1 (0.49) FFAR1PPARGMAPTPPARAHRH3
SCHEMBL8796828 0.75 HRH3 (0.33) MEN1KMT2AHRH3
SCHEMBL8799688 0.75 FFAR1 (0.51) FFAR1PPARGPPARAHRH3
SCHEMBL8803015 0.74 FFAR1 (0.52) FFAR1PPARGMEN1ALDH1A1TP53
SCHEMBL8797461 0.74 MEN1 (0.46) FFAR1PPARGMEN1ALDH1A1TP53
SCHEMBL8796979 0.72 HRH3 (0.47) FFAR1PPARGMEN1ALDH1A1TP53
SCHEMBL2789365 0.70 PPARG (0.61) FFAR1PPARGMEN1ALDH1A1TP53

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
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed