SCHEMBL256602

SCHEMBL256602

C=N/C=C(\C)CNC(=O)Nc1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.57
ABCC9 O60706 5/20 0.48
ABCC8 Q09428 5/20 0.48
KCNJ11 Q14654 5/20 0.48
KCNJ8 Q15842 5/20 0.48
RORC P51449 1/20 0.41

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
SCHEMBL29881583 0.75 NAMPT (0.81) NAMPT
SCHEMBL20379763 0.75 NAMPT (0.81) NAMPT
SCHEMBL164510 0.73 NAMPT (1.00) NAMPT
SCHEMBL20380098 0.73 NAMPT (0.76) NAMPT
SCHEMBL29881557 0.73 NAMPT (0.76) NAMPT
SCHEMBL20389102 0.72 NAMPT (0.78) NAMPT
SCHEMBL27955163 0.71 ABCC9 (0.54) NAMPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL21132840 0.68 NAMPT (0.55) NAMPT
SCHEMBL22954102 0.67 HTR6 (0.61) NAMPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL21132533 0.66 NAMPT (0.55) 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-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed