SCHEMBL9523337

SCHEMBL9523337

NNC(=O)C(c1ccc(Cl)cc1)n1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.55
CYP26A1 O43174 2/20 0.48
CYP24A1 Q07973 5/20 0.44
CYP3A4 P08684 3/20 0.44
MEN1 O00255 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP27B1 O15528 2/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
ADRB2 P07550 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3560288 0.82 CYP19A1 (0.61) CYP19A1CYP26A1CYP24A1CYP3A4MEN1
SCHEMBL3558863 0.81 CYP26A1 (0.57) CYP19A1CYP26A1CYP24A1CYP3A4MEN1
SCHEMBL9558665 0.78 CYP3A4 (0.63) CYP19A1CYP26A1CYP24A1CYP3A4MEN1
SCHEMBL2546988 0.78 CYP19A1 (0.55) CYP19A1CYP26A1CYP24A1CYP3A4MEN1
SCHEMBL11333169 0.76 CYP19A1 (0.52) CYP19A1CYP26A1CYP24A1CYP3A4MEN1
SCHEMBL9524860 0.73 HSD17B10 (0.41) CYP3A4MEN1ADORA3KMT2ACYP1A2
SCHEMBL15497772 0.72 CYP19A1 (0.55) CYP19A1CYP26A1CYP24A1CYP3A4MEN1
SCHEMBL11224914 0.72 CYP19A1 (0.48) CYP19A1CYP26A1CYP24A1CYP3A4MEN1
SCHEMBL10693298 0.72 CYP19A1 (1.00) CYP19A1CYP26A1CYP3A4MEN1ADRA1A
SCHEMBL9272047 0.71 CYP26A1 (0.54) CYP19A1CYP26A1CYP24A1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396769-B1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1993-03-10 EP disclosed
US-5093480-A Fungicides KOWA COMPANY, LTD. (JP) 1992-03-03 US disclosed
EP-0396769-A1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1990-11-14 EP disclosed