SCHEMBL874483

SCHEMBL874483

CCN(C(=O)c1sc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nc1C(F)(F)F)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CHRNA7 P36544 2/20 0.39
NPC1 O15118 6/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL874482 0.83 CHRM4 (0.42) RAB9ACHRNA7NPC1KDM4EALDH1A1
SCHEMBL873866 0.83 CHRNA7 (0.42) RAB9ARXFP1CHRNA7NPC1KDM4E
SCHEMBL873609 0.81 MAPT (0.45) RAB9ACHRNA7NPC1KDM4EALDH1A1
SCHEMBL874618 0.80 NAMPT (0.41) RAB9ACHRNA7NPC1KDM4EALDH1A1
SCHEMBL873722 0.79 RXFP1 (0.38) RAB9ARXFP1CHRNA7NPC1KDM4E
SCHEMBL874281 0.78 RAB9A (0.40) RAB9ARXFP1CHRNA7NPC1KDM4E
SCHEMBL874231 0.75 CHRNA7 (0.43) RAB9ACHRNA7NPC1KDM4EALDH1A1
SCHEMBL873630 0.73 NAMPT (0.41) RAB9ACHRNA7NPC1KDM4EALDH1A1
SCHEMBL874617 0.72 DRD2 (0.44) CHRNA7NAMPTDRD2DRD3
SCHEMBL875382 0.69 NPC1 (0.40) RAB9ANPC1KDM4EALDH1A1MEN1

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