SCHEMBL8797281

SCHEMBL8797281

CC(C)c1ccc2c(c1)OCN(CCOc1ccc(CC3SC(=O)NC3=O)cc1)C2=O

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.49
HRH3 Q9Y5N1 1/20 0.48
FFAR1 O14842 12/20 0.47
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
SCHEMBL8797256 0.89 FFAR1 (0.54) PPARGHRH3FFAR1MEN1ALDH1A1
SCHEMBL8797299 0.89 HRH3 (0.51) PPARGHRH3FFAR1MEN1ALDH1A1
SCHEMBL8796895 0.88 HRH3 (0.50) PPARGHRH3FFAR1MEN1ALDH1A1
SCHEMBL8797310 0.88 HRH3 (0.52) PPARGHRH3FFAR1MEN1ALDH1A1
SCHEMBL8797265 0.87 HRH3 (0.49) PPARGHRH3FFAR1MEN1ALDH1A1
SCHEMBL8797017 0.86 HRH3 (0.52) PPARGHRH3FFAR1MEN1ALDH1A1
SCHEMBL6953746 0.86 FFAR1 (0.55) PPARGHRH3FFAR1MEN1ALDH1A1
SCHEMBL31486881 0.86 FFAR1 (0.55) PPARGHRH3FFAR1MEN1ALDH1A1
SCHEMBL8797732 0.85 HRH3 (0.52) PPARGHRH3FFAR1MEN1ALDH1A1
SCHEMBL8797157 0.84 HRH3 (0.50) PPARGHRH3FFAR1MEN1ALDH1A1

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