SCHEMBL18949526

SCHEMBL18949526

C/N=C(\NCc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1)Nc1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 15/20 0.64
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 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
SCHEMBL161433 0.88 NAMPT (0.69) NAMPT
SCHEMBL18949529 0.86 NAMPT (0.64) NAMPTALDH1A1HPGDMAPTL3MBTL1
SCHEMBL15372334 0.85 NAMPT (0.63) NAMPTALDH1A1HPGDMAPTL3MBTL1
SCHEMBL18949502 0.84 NAMPT (0.69) NAMPTALDH1A1
SCHEMBL18949639 0.83 NAMPT (0.70) NAMPT
SCHEMBL18949581 0.80 NAMPT (0.70) NAMPTCYP2C9CYP2C19
SCHEMBL18949594 0.79 NAMPT (0.62) NAMPT
SCHEMBL18949584 0.79 NAMPT (0.62) NAMPT
SCHEMBL18949571 0.79 NAMPT (0.61) NAMPT
SCHEMBL18973077 0.78 NAMPT (0.65) 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
US-9676721-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2017-06-13 — — US disclosed
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