SCHEMBL176197

SCHEMBL176197

COc1ccc(OC(F)(F)F)cc1S(=O)(=O)c1ccccc1CNC(=O)c1cnc2[nH]ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.58
ALPL P05186 3/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL16107751 0.86 NAMPT (0.72) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL176334 0.86 NAMPT (0.54) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL176170 0.82 NAMPT (0.59) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL176342 0.78 NAMPT (0.57) NAMPTCYP2C9
SCHEMBL16107735 0.77 NAMPT (0.66) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL12468202 0.75 NAMPT (0.74) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL12466836 0.75 NAMPT (0.85) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15546369 0.73 NAMPT (0.69) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL12466906 0.73 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL30167713 0.73 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19

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 disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed