SCHEMBL173823

SCHEMBL173823

CCCOc1ccccc1NS(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1.COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(CNC(=O)c2cc3cnccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.54
CYP2C9 P11712 3/20 0.51
HDAC1 Q13547 1/20 0.46

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
SCHEMBL173825 0.93 NAMPT (0.47) NAMPTCYP2C9
SCHEMBL173824 0.92 NAMPT (0.46) NAMPTCYP2C9
SCHEMBL30167784 0.91 NAMPT (0.61) NAMPTCYP2C9
SCHEMBL16107769 0.91 NAMPT (0.61) NAMPTCYP2C9
SCHEMBL16108135 0.90 NAMPT (0.63) NAMPTCYP2C9HDAC1
SCHEMBL30167849 0.90 NAMPT (0.63) NAMPTCYP2C9HDAC1
SCHEMBL15531354 0.89 NAMPT (0.56) NAMPTCYP2C9
SCHEMBL16107855 0.86 NAMPT (0.67) NAMPTCYP2C9HDAC1
SCHEMBL30167791 0.86 NAMPT (0.67) NAMPTCYP2C9HDAC1
SCHEMBL15246544 0.84 NAMPT (0.65) NAMPTCYP2C9HDAC1

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