SCHEMBL15530677

SCHEMBL15530677

CN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5cnccc5[nH]4)cc3)cn2)CC1.Cc1nc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 20/20 0.61
▸ CYP2C9 P11712 2/20 0.47

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
SCHEMBL30167647 0.85 NAMPT (0.82) NAMPTCYP2C9
SCHEMBL174292 0.85 NAMPT (0.82) NAMPTCYP2C9
SCHEMBL161120 0.79 NAMPT (0.69) NAMPTCYP2C9
SCHEMBL15243583 0.77 NAMPT (0.81) NAMPT
SCHEMBL12468038 0.77 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL30167609 0.77 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL16108063 0.77 NAMPT (0.70) NAMPTCYP2C9
SCHEMBL16108010 0.75 NAMPT (0.69) NAMPT
SCHEMBL30167581 0.74 NAMPT (1.00) NAMPT
SCHEMBL173594 0.74 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013170191-A1 METHODS OF USING ANTAGONISTS OF NAD BIOSYNTHESIS FROM NICOTINAMIDE GENENTECH, INC. (US) 2013-11-14 — — WO disclosed
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