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Sugi Predict / Compounds / SCHEMBL161680

SCHEMBL161680

SCHEMBL161680

Cn1ncc2cccc(S(=O)(=O)c3ccc(CNC(=O)c4cnc5[nH]ncc5c4)cc3)c21.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1c[nH]c2ccncc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 20/20 0.60
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50

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
SCHEMBL160598 0.86 NAMPT (0.66) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL30167856 0.86 NAMPT (0.66) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL159476 0.78 NAMPT (1.00) NAMPTCYP2C9CYP2C19
SCHEMBL30167675 0.77 NAMPT (0.65) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL161367 0.77 NAMPT (0.65) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL161981 0.76 NAMPT (0.78) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL161807 0.76 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL30167673 0.76 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL30167620 0.76 NAMPT (0.71) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL174286 0.76 NAMPT (0.71) 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 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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