SCHEMBL9353063

SCHEMBL9353063

S=C(Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
GAA P10253 4/20 0.56
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
TAS2R38 P59533 3/20 0.54
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 2/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 7/20 0.50
MEN1 O00255 5/20 0.50
NOX1 Q9Y5S8 1/20 0.50
TP53 P04637 1/20 0.50
TYR P14679 1/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL11443484 0.84 GAA (0.58) EPHX2GAAMAOAMAOBTAS2R38
SCHEMBL3071122 0.81 HSD17B10 (0.64) EPHX2GAAMAOAMAOBTAS2R38
SCHEMBL3067216 0.79 MAPT (0.61) GAAMAOAMAOBTAS2R38HSD17B10
SCHEMBL1059890 0.77 KMT2A (0.56) EPHX2GAAALDH1A1NPC1RAB9A
SCHEMBL28367376 0.76 HSD17B10 (0.56) EPHX2GAAMAOAMAOBTAS2R38
SCHEMBL3651334 0.76 TAS2R38 (0.58) GAATAS2R38HSD17B10ALDH1A1CYP3A4
SCHEMBL8325341 0.76 ALDH1A1 (0.45) GAAALDH1A1CYP3A4NPC1RAB9A
SCHEMBL29875498 0.76 HSD17B10 (0.56) EPHX2GAAMAOAMAOBTAS2R38
SCHEMBL7362194 0.76 HSD17B10 (0.58) EPHX2GAAMAOAMAOBTAS2R38
SCHEMBL3069527 0.76 ALDH1A1 (0.64) GAAMAOAMAOBTAS2R38HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4234357-A None JP disclosed
EP-0469888-B1 Amidobenzenes ICI PLC (GB) 1994-09-28 EP disclosed
US-5250570-A Aldose reductase inhibitors for controlling side effects of diabetes and galactosemia IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-05 US disclosed
JP-H04234357-A AMIDOBENZENES IMPERIAL CHEM IND PLC <ICI> 1992-08-24 JP disclosed
EP-0469888-A1 Amidobenzenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-05 EP disclosed
US-3939184-A Production of carbonyl compounds substituted in α-position BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed