SCHEMBL874571

SCHEMBL874571

CCNc1nc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)ccc1C(=O)N(CC)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KDM4E B2RXH2 6/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CHRNA7 P36544 2/20 0.35
ATM Q13315 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ROCK1 Q13464 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 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
SCHEMBL874083 0.90 KDM4E (0.38) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL875385 0.86 MAPT (0.40) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874210 0.85 MAPT (0.40) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874570 0.85 MOK (0.43) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL875479 0.84 NAMPT (0.40) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874082 0.83 MAPT (0.38) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874837 0.81 KMT2A (0.37) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL873658 0.78 NAMPT (0.39) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874686 0.78 CYP3A4 (0.42) CHRNA7NPSR1
SCHEMBL874025 0.77 NAMPT (0.41) MAPTKDM4EHPGDSMN1; SMN2HSD17B10

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