SCHEMBL18949501

SCHEMBL18949501

N=C(NCc1ccc(S(=O)(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1)Nc1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 16/20 0.67
▸ TSHR P16473 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HSD11B1 P28845 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL18949502 0.87 NAMPT (0.69) NAMPTALDH1A1
SCHEMBL160823 0.85 NAMPT (0.73) NAMPT
SCHEMBL167792 0.80 NAMPT (1.00) NAMPT
SCHEMBL15373595 0.80 NAMPT (0.76) NAMPT
SCHEMBL15372323 0.80 NAMPT (0.76) NAMPT
SCHEMBL18949505 0.80 NAMPT (0.77) NAMPT
SCHEMBL15373680 0.79 NAMPT (0.77) NAMPT
SCHEMBL18949588 0.77 NAMPT (0.59) NAMPT
SCHEMBL15373672 0.77 NAMPT (0.64) NAMPTALDH1A1
SCHEMBL18949592 0.76 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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