SCHEMBL8796979

SCHEMBL8796979

O=C1NC(=O)C(Cc2ccc(OCCCN3CN(c4ccccc4)c4ccc([N+](=O)[O-])cc4C3=O)cc2)S1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
FFAR1 O14842 12/20 0.43
PPARG P37231 8/20 0.43
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 2/20 0.40

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
SCHEMBL8799688 0.88 FFAR1 (0.51) HRH3FFAR1PPARGPPARA
SCHEMBL8796987 0.86 HRH3 (0.39) HRH3ALDH1A1KMT2A
SCHEMBL8796703 0.84 FFAR1 (0.49) HRH3FFAR1PPARGMAPTPPARA
SCHEMBL8796710 0.83 FFAR1 (0.48) HRH3FFAR1PPARGMEN1ALDH1A1
SCHEMBL8803015 0.83 FFAR1 (0.52) HRH3FFAR1PPARGMEN1ALDH1A1
SCHEMBL8797048 0.80 HRH3 (0.51) HRH3FFAR1PPARGMEN1ALDH1A1
SCHEMBL8796685 0.78 HRH3 (0.49) HRH3FFAR1PPARGMEN1ALDH1A1
SCHEMBL8798557 0.77 HRH3 (0.48) HRH3FFAR1PPARGMEN1ALDH1A1
SCHEMBL8796673 0.76 HRH3 (0.47) HRH3FFAR1PPARGMEN1ALDH1A1
SCHEMBL8574473 0.74 CASP1 (0.44) ALDH1A1MAPTHPGD

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