SCHEMBL8796744

SCHEMBL8796744

CN1CN(CCOc2ccc(CC3SC(=O)NC3=O)cc2)C(=O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.55
FFAR1 O14842 9/20 0.55
HRH3 Q9Y5N1 1/20 0.53
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MPC2 O95563 2/20 0.48
CYP2C8 P10632 2/20 0.48
CYP2C9 P11712 2/20 0.48
PPARA Q07869 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
SCHEMBL8803015 0.88 FFAR1 (0.52) PPARGFFAR1HRH3MEN1ALDH1A1
SCHEMBL8460445 0.83 FFAR1 (0.57) PPARGFFAR1HRH3MEN1ALDH1A1
SCHEMBL8797059 0.82 FFAR1 (0.56) PPARGFFAR1HRH3MEN1ALDH1A1
SCHEMBL9123993 0.82 HRH3 (0.57) PPARGFFAR1HRH3MEN1ALDH1A1
SCHEMBL6953746 0.81 FFAR1 (0.55) PPARGFFAR1HRH3MEN1ALDH1A1
SCHEMBL31486881 0.81 FFAR1 (0.55) PPARGFFAR1HRH3MEN1ALDH1A1
SCHEMBL9143087 0.80 FFAR1 (0.64) PPARGFFAR1HRH3HPGDPPARA
SCHEMBL8796710 0.80 FFAR1 (0.48) PPARGFFAR1HRH3MEN1ALDH1A1
SCHEMBL8797295 0.79 FFAR1 (0.49) PPARGFFAR1HRH3MEN1ALDH1A1
SCHEMBL291316 0.79 HRH3 (0.59) PPARGFFAR1HRH3MEN1ALDH1A1

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