SCHEMBL12468656

SCHEMBL12468656

O=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCOCC3)c2)cc1)c1ccc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ccncc2o1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 20/20 0.68
▸ CYP2C9 P11712 1/20 0.60

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
SCHEMBL16107909 0.88 NAMPT (0.81) NAMPTCYP2C9
SCHEMBL164396 0.88 NAMPT (0.82) NAMPTCYP2C9
SCHEMBL161138 0.83 NAMPT (0.75) NAMPTCYP2C9
SCHEMBL164490 0.82 NAMPT (0.73) NAMPTCYP2C9
SCHEMBL16108701 0.82 NAMPT (0.74) NAMPTCYP2C9
SCHEMBL16107653 0.82 NAMPT (0.82) NAMPTCYP2C9
SCHEMBL12466782 0.81 NAMPT (0.73) NAMPTCYP2C9
SCHEMBL12468570 0.81 NAMPT (0.82) NAMPTCYP2C9
SCHEMBL16820346 0.81 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL16820381 0.80 NAMPT (1.00) NAMPT

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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