SCHEMBL8798487

SCHEMBL8798487

CC1Sc2ccccc2C(=O)N1CCOc1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.56
FFAR1 O14842 9/20 0.56
HRH3 Q9Y5N1 1/20 0.52
PPARA Q07869 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RXRA P19793 1/20 0.47

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
SCHEMBL8797781 0.88 HRH3 (0.49) PPARGFFAR1HRH3PPARACYP3A4
SCHEMBL8797057 0.88 PPARG (0.53) PPARGFFAR1HRH3PPARACYP3A4
SCHEMBL8797348 0.83 PPARG (0.56) PPARGFFAR1HRH3PPARACYP3A4
SCHEMBL8798492 0.83 HRH3 (0.38) PPARGFFAR1HRH3HPGDALOX15
SCHEMBL8798510 0.82 PPARG (0.56) PPARGFFAR1HRH3PPARACYP3A4
SCHEMBL9143087 0.81 FFAR1 (0.64) PPARGFFAR1HRH3PPARAHPGD
SCHEMBL8797059 0.80 FFAR1 (0.56) PPARGFFAR1HRH3PPARACYP3A4
SCHEMBL8797322 0.78 HRH3 (0.58) PPARGFFAR1HRH3PPARACYP3A4
SCHEMBL8797183 0.77 PPARG (0.49) PPARGFFAR1HRH3CYP3A4RXRA
SCHEMBL8128813 0.76 PPARG (0.63) PPARGFFAR1HRH3PPARACYP3A4

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