SCHEMBL4795391

SCHEMBL4795391

CNS(=O)(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1C=C2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 19/20 0.59
CYP11B2 P19099 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
SCHEMBL4795387 1.00 HSD17B3 (0.59) HSD17B3CYP11B2
SCHEMBL4799369 0.89 HSD17B3 (0.62) HSD17B3
SCHEMBL4799378 0.89 HSD17B3 (0.62) HSD17B3
SCHEMBL4798256 0.89 HSD17B3 (0.61) HSD17B3
SCHEMBL4798271 0.89 HSD17B3 (0.61) HSD17B3
SCHEMBL4800979 0.88 HSD17B3 (0.60) HSD17B3
SCHEMBL4800993 0.88 HSD17B3 (0.60) HSD17B3
SCHEMBL15088532 0.87 HSD17B3 (0.52) HSD17B3CYP11B2
SCHEMBL4800262 0.83 HSD17B3 (0.67) HSD17B3
SCHEMBL4800268 0.83 HSD17B3 (0.67) HSD17B3

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
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed