SCHEMBL8797128

SCHEMBL8797128

Nc1ccc2c(c1)C(=O)N(CCOc1ccc(CC3SC(=O)NC3=O)cc1)CO2

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
MAPT P10636 2/20 0.49
FFAR1 O14842 12/20 0.47
PPARG P37231 7/20 0.47
PPARA Q07869 2/20 0.45
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXRA P19793 1/20 0.42

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
SCHEMBL8796910 0.96 HRH3 (0.54) HRH3MAPTFFAR1PPARGPPARA
SCHEMBL8797423 0.89 HRH3 (0.50) HRH3MAPTFFAR1PPARGPPARA
SCHEMBL8797127 0.89 HRH3 (0.50) HRH3MAPTFFAR1PPARGPPARA
SCHEMBL8797686 0.89 PPARG (0.51) HRH3MAPTFFAR1PPARGPPARA
SCHEMBL8796790 0.89 FFAR1 (0.57) HRH3MAPTFFAR1PPARGPPARA
SCHEMBL8797585 0.89 HRH3 (0.50) HRH3MAPTFFAR1PPARGPPARA
SCHEMBL8797160 0.89 HRH3 (0.48) HRH3MAPTFFAR1PPARGPPARA
SCHEMBL8796796 0.89 HRH3 (0.49) HRH3MAPTFFAR1PPARGPPARA
SCHEMBL8797732 0.88 HRH3 (0.52) HRH3MAPTFFAR1PPARGPPARA
SCHEMBL8802229 0.88 HRH3 (0.48) HRH3MAPTFFAR1PPARGPPARA

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