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SCHEMBL161340

SCHEMBL161340

CC(C)COc1cc(F)cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c1.CCc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 20/20 0.66
▸ CYP2C9 P11712 4/20 0.59
▸ CYP2C19 P33261 2/20 0.54
▸ CYP3A4 P08684 1/20 0.52

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
SCHEMBL173642 0.93 NAMPT (0.76) NAMPTCYP2C9CYP2C19CYP3A4
SCHEMBL16108489 0.88 NAMPT (0.71) NAMPTCYP2C9CYP2C19CYP3A4
SCHEMBL161129 0.86 NAMPT (0.80) NAMPTCYP2C9CYP2C19CYP3A4
SCHEMBL12467144 0.84 NAMPT (0.71) NAMPTCYP2C9CYP2C19CYP3A4
SCHEMBL20953324 0.84 NAMPT (0.64) NAMPTCYP2C9CYP2C19CYP3A4
SCHEMBL16107822 0.83 NAMPT (0.83) NAMPTCYP2C9CYP2C19CYP3A4
SCHEMBL12466988 0.82 NAMPT (0.84) NAMPTCYP2C9CYP2C19CYP3A4
SCHEMBL16107708 0.81 NAMPT (0.77) NAMPTCYP2C9CYP2C19CYP3A4
SCHEMBL12467015 0.81 NAMPT (0.75) NAMPTCYP2C9CYP2C19CYP3A4
SCHEMBL16107803 0.81 NAMPT (0.75) NAMPTCYP2C9CYP2C19CYP3A4

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
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