SCHEMBL873629

SCHEMBL873629

CCCCc1nc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)sc1C(=O)NCCN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CHRNA7 P36544 4/20 0.38
MKNK2 Q9HBH9 1/20 0.38
JAK2 O60674 3/20 0.38
ATR Q13535 3/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
IKBKG Q9Y6K9 1/20 0.37

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
SCHEMBL882713 0.93 CYP3A4 (0.44) NAMPTDRD2DRD3
SCHEMBL873630 0.84 NAMPT (0.41) NAMPTDRD2DRD3CHRNA7BCHE
SCHEMBL874617 0.84 DRD2 (0.44) NAMPTDRD2DRD3CHRNA7MKNK2
SCHEMBL874535 0.80 NAMPT (0.48) NAMPTDRD2DRD3CHRNA7JAK2
SCHEMBL874058 0.79 NAMPT (0.42) NAMPTDRD2DRD3CHRNA7MKNK2
SCHEMBL873657 0.78 CYP3A4 (0.41) NAMPTDRD2DRD3CHRNA7JAK2
SCHEMBL877180 0.78 NAMPT (0.43) NAMPTDRD2DRD3CHRNA7MKNK2
SCHEMBL874686 0.77 CYP3A4 (0.42) NAMPTDRD2DRD3CHRNA7MKNK2
SCHEMBL874795 0.77 NAMPT (0.47) NAMPTCHRNA7ATR
SCHEMBL874282 0.77 SMN1; SMN2 (0.47)

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-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed