SCHEMBL31446

SCHEMBL31446

CS(=O)(=O)NCc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 20/20 0.69
HSD17B2 P37059 19/20 0.69

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
SCHEMBL31459 0.81 HSD17B1 (0.77) HSD17B1HSD17B2
SCHEMBL24263 0.80 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL22550 0.77 HSD17B1 (0.88) HSD17B1HSD17B2
SCHEMBL31148 0.76 HSD17B1 (0.47) HSD17B1HSD17B2
SCHEMBL24752 0.75 HSD17B1 (1.00) HSD17B1HSD17B2
SCHEMBL5724799 0.74 CYP1A2 (0.55) HSD17B1HSD17B2
SCHEMBL31075 0.74 HSD17B1 (0.82) HSD17B1HSD17B2
SCHEMBL22915 0.74 HSD17B1 (0.72) HSD17B1HSD17B2
SCHEMBL24451 0.74 HSD17B1 (0.80) HSD17B1HSD17B2
SCHEMBL22914 0.73 HSD17B1 (0.78) HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed