SCHEMBL176270

SCHEMBL176270

COc1cc(-n2cccn2)ccc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1.COc1ccc(C(C)=O)cc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 20/20 0.54
CYP2C9 P11712 1/20 0.51

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
SCHEMBL15531581 0.94 NAMPT (0.60) NAMPTCYP2C9
SCHEMBL16108482 0.89 NAMPT (0.65) NAMPTCYP2C9
SCHEMBL12466990 0.84 NAMPT (0.63) NAMPTCYP2C9
SCHEMBL16108515 0.84 NAMPT (0.61) NAMPT
SCHEMBL12468182 0.83 NAMPT (0.64) NAMPTCYP2C9
SCHEMBL160425 0.82 NAMPT (0.74) NAMPTCYP2C9
SCHEMBL163570 0.81 NAMPT (0.69) NAMPTCYP2C9
SCHEMBL173345 0.81 NAMPT (0.69) NAMPTCYP2C9
SCHEMBL12466951 0.81 NAMPT (0.65) NAMPTCYP2C9
SCHEMBL12467042 0.81 NAMPT (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed