SCHEMBL874570

SCHEMBL874570

CCNc1nc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)ccc1C(=O)NCCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 1/20 0.43
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ROCK1 Q13464 1/20 0.37
TP53 P04637 1/20 0.37
CHRNA7 P36544 1/20 0.36
BRAF P15056 3/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE7A Q13946 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL874082 0.92 MAPT (0.38) MOKMAPTKDM4ESMN1; SMN2HPGD
SCHEMBL874837 0.90 KMT2A (0.37) MAPTKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL875385 0.88 MAPT (0.40) MAPTKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL874210 0.88 MAPT (0.40) MAPTKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL874686 0.86 CYP3A4 (0.42) CHRNA7DRD2DRD3
SCHEMBL874571 0.85 MAPT (0.38) MAPTKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL874151 0.84 CYP3A4 (0.40) MAPTKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL874083 0.84 KDM4E (0.38) MAPTKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL874025 0.83 NAMPT (0.41) MAPTKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL874152 0.82 CHRNA7 (0.37) MOKMAPTKDM4ESMN1; SMN2HPGD

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