SCHEMBL15062971

SCHEMBL15062971

CC(=O)N1Cc2cnc(Cl)nc2/C=C\c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 17/20 0.65
NOTUM Q6P988 3/20 0.43

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
SCHEMBL15062972 1.00 HSD17B3 (0.65) HSD17B3NOTUM
SCHEMBL15063049 0.91 HSD17B3 (0.52) HSD17B3NOTUM
SCHEMBL15063050 0.91 HSD17B3 (0.52) HSD17B3NOTUM
SCHEMBL5042560 0.87 HSD17B3 (0.52) HSD17B3NOTUM
SCHEMBL5042565 0.87 HSD17B3 (0.52) HSD17B3NOTUM
SCHEMBL5048219 0.83 HSD17B3 (0.64) HSD17B3NOTUM
SCHEMBL5048214 0.83 HSD17B3 (0.64) HSD17B3NOTUM
SCHEMBL5042561 0.82 HSD17B3 (0.65) HSD17B3NOTUM
SCHEMBL5042557 0.82 HSD17B3 (0.65) HSD17B3NOTUM
SCHEMBL5046195 0.81 HSD17B3 (0.61) HSD17B3NOTUM

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-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 EP disclosed