SCHEMBL8798557

SCHEMBL8798557

O=C1NC(=O)C(Cc2ccc(OCCN3CSc4ccc([N+](=O)[O-])cc4C3=O)cc2)S1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
FFAR1 O14842 10/20 0.45
PPARG P37231 10/20 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
MAPT P10636 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
PPARA Q07869 2/20 0.43
RXRA P19793 1/20 0.40
MPC2 O95563 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 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
SCHEMBL8797609 0.86 HRH3 (0.51) HRH3FFAR1PPARGCYP3A4MEN1
SCHEMBL8797405 0.86 FFAR1 (0.58) HRH3FFAR1PPARGCYP3A4MEN1
SCHEMBL8797598 0.86 PPARG (0.52) HRH3FFAR1PPARGCYP3A4MEN1
SCHEMBL8796673 0.84 HRH3 (0.47) HRH3FFAR1PPARGCYP3A4MEN1
SCHEMBL8798566 0.84 SNCA (0.35) HRH3ALDH1A1MAPTKMT2ATDP1
SCHEMBL8797059 0.84 FFAR1 (0.56) HRH3FFAR1PPARGCYP3A4MEN1
SCHEMBL8797766 0.80 HRH3 (0.53) HRH3FFAR1PPARGCYP3A4MEN1
SCHEMBL8797048 0.80 HRH3 (0.51) HRH3FFAR1PPARGCYP3A4MEN1
SCHEMBL8797322 0.79 HRH3 (0.58) HRH3FFAR1PPARGCYP3A4MEN1
SCHEMBL8796979 0.77 HRH3 (0.47) HRH3FFAR1PPARGCYP3A4MEN1

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