SCHEMBL174890

SCHEMBL174890

O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)C2)cc1

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 20/20 0.92
CYP2C9 P11712 1/20 0.68

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
SCHEMBL29635694 0.96 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL165701 0.96 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL29635819 0.87 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL167267 0.87 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL29635831 0.87 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL161598 0.87 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL29635650 0.87 NAMPT (0.88) NAMPTCYP2C9
SCHEMBL163808 0.87 NAMPT (0.88) NAMPTCYP2C9
SCHEMBL29635777 0.86 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL165268 0.86 NAMPT (1.00) NAMPTCYP2C9

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-2611777-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL]AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031196-A9 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM, LLC (US) 2013-06-13 WO disclosed
WO-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed