SCHEMBL873877

SCHEMBL873877

CC(C)NC(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nc1NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
CSF1R P07333 5/20 0.39
SYK P43405 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE7A Q13946 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
RIPK1 Q13546 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 1/20 0.35
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL882629 0.89 CHRNA7 (0.42) CHRNA7SYKTRPV1KDM4EHPGD
SCHEMBL874291 0.88 CHRNA7 (0.39) CHRNA7SYKTRPV1KDM4EHPGD
SCHEMBL874835 0.87 MEN1 (0.43) CHRNA7CSF1RROCK2KDM4EHPGD
SCHEMBL874210 0.87 MAPT (0.40) CHRNA7CSF1RROCK2KDM4EHPGD
SCHEMBL873721 0.84 BCHE (0.39) CHRNA7SYKTRPV1BCHEACHE
SCHEMBL875500 0.83 ATR (0.41) CHRNA7SYKNAMPT
SCHEMBL873722 0.83 RXFP1 (0.38) CHRNA7SYKTRPV1KDM4EHPGD
SCHEMBL875501 0.82 CHRNA7 (0.40) CHRNA7SYKTRPV1KDM4EHPGD
SCHEMBL875385 0.77 MAPT (0.40) CHRNA7CSF1RKDM4EHPGDSMN1; SMN2
SCHEMBL874339 0.76 MKNK1 (0.39) CHRNA7CSF1RTRPV1ROCK2KDM4E

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