SCHEMBL874185

SCHEMBL874185

CCN(C(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)o1)N(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
NAMPT P43490 1/20 0.38
MAPT P10636 5/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
STAT1 P42224 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL874680 0.83 NPC1 (0.46) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL874184 0.82 NPC1 (0.41) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL873866 0.82 CHRNA7 (0.42) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL874536 0.82 NAMPT (0.45) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL873871 0.81 NPC1 (0.42) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL874023 0.80 CHRNA7 (0.42) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL873710 0.79 CHRNA7 (0.41) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL874136 0.78 CHRNA7 (0.40) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL874187 0.77 NPC1 (0.46) NPC1RAB9AALDH1A1HSD17B10KDM4E
SCHEMBL874535 0.73 NAMPT (0.48) NPC1RAB9AALDH1A1HSD17B10KDM4E

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