SCHEMBL8796845

SCHEMBL8796845

COc1cccc2c1OCN(CCOc1ccc(CC3SC(=O)NC3=O)cc1)C2=O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.49
HRH3 Q9Y5N1 1/20 0.48
PPARG P37231 9/20 0.48
MPC2 O95563 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPARA Q07869 2/20 0.44

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
SCHEMBL8796902 0.96 HRH3 (0.52) FFAR1HRH3PPARGMPC2CYP2C8
SCHEMBL8798059 0.92 HRH3 (0.49) FFAR1HRH3PPARGMPC2CYP2C8
SCHEMBL8796857 0.86 FFAR1 (0.49) FFAR1HRH3PPARGMPC2CYP2C8
SCHEMBL8797157 0.86 HRH3 (0.50) FFAR1HRH3PPARGMPC2CYP2C8
SCHEMBL8796860 0.85 HRH3 (0.48) FFAR1HRH3PPARGMPC2CYP2C8
SCHEMBL8798267 0.85 FFAR1 (0.51) FFAR1HRH3PPARGPPARA
SCHEMBL8797164 0.85 HRH3 (0.47) FFAR1HRH3PPARGMPC2CYP2C8
SCHEMBL6953746 0.84 FFAR1 (0.55) FFAR1HRH3PPARGMEN1ALDH1A1
SCHEMBL31486881 0.84 FFAR1 (0.55) FFAR1HRH3PPARGMEN1ALDH1A1
SCHEMBL8797256 0.83 FFAR1 (0.54) FFAR1HRH3PPARGMPC2CYP2C8

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