SCHEMBL8797322

SCHEMBL8797322

O=C1NC(=O)C(Cc2ccc(OCCCN3CSc4ccccc4C3=O)cc2)S1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
FFAR1 O14842 11/20 0.52
PPARG P37231 9/20 0.52
PPARA Q07869 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL8797059 0.95 FFAR1 (0.56) HRH3FFAR1PPARGPPARAMEN1
SCHEMBL8797766 0.86 HRH3 (0.53) HRH3FFAR1PPARGPPARAMEN1
SCHEMBL9121324 0.84 HRH3 (0.60) HRH3FFAR1PPARGPPARAMEN1
SCHEMBL8797405 0.82 FFAR1 (0.58) HRH3FFAR1PPARGPPARAMEN1
SCHEMBL8797598 0.82 PPARG (0.52) HRH3FFAR1PPARGPPARAMEN1
SCHEMBL8797609 0.82 HRH3 (0.51) HRH3FFAR1PPARGPPARAMEN1
SCHEMBL8798096 0.82 HRH3 (0.57) HRH3FFAR1PPARGPPARAMEN1
SCHEMBL8797333 0.82 HRH3 (0.45) HRH3FFAR1PPARGMEN1MAPT
SCHEMBL8797394 0.81 FFAR1 (0.57) HRH3FFAR1PPARGPPARAMEN1
SCHEMBL8797386 0.80 FFAR1 (0.50) HRH3FFAR1PPARGPPARAMEN1

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