SCHEMBL874516

SCHEMBL874516

CCN(C(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nc1NC(C)C)N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
CHRNA7 P36544 2/20 0.38
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CSF1R P07333 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SYK P43405 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
DGAT1 O75907 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL875479 0.92 NAMPT (0.40) NAMPTCHRNA7MAPTSMN1; SMN2KDM4E
SCHEMBL873658 0.91 NAMPT (0.39) NAMPTCHRNA7MAPTSMN1; SMN2KDM4E
SCHEMBL873821 0.91 NAMPT (0.39) NAMPTCHRNA7MAPTSMN1; SMN2KDM4E
SCHEMBL875501 0.90 CHRNA7 (0.40) NAMPTCHRNA7MAPTSMN1; SMN2KDM4E
SCHEMBL874059 0.84 NAMPT (0.41) NAMPTCHRNA7MAPTSMN1; SMN2KDM4E
SCHEMBL877181 0.83 NAMPT (0.40) NAMPTCHRNA7MAPTSMN1; SMN2KDM4E
SCHEMBL874515 0.83 ATR (0.43) NAMPTCHRNA7CYP3A4CYP2D6CYP2C9
SCHEMBL874016 0.82 NAMPT (0.37) NAMPTCHRNA7MAPTSMN1; SMN2KCNH2
SCHEMBL874536 0.80 NAMPT (0.45) NAMPTCHRNA7MAPTSMN1; SMN2KDM4E
SCHEMBL874083 0.78 KDM4E (0.38) NAMPTCHRNA7MAPTSMN1; SMN2KDM4E

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