SCHEMBL874082

SCHEMBL874082

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CHRNA7 P36544 2/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 1/20 0.35
NAMPT P43490 1/20 0.35
ROCK1 Q13464 1/20 0.35
JAK2 O60674 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35
IRAK4 Q9NWZ3 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
SCHEMBL874570 0.92 MOK (0.43) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874837 0.91 KMT2A (0.37) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL875385 0.90 MAPT (0.40) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874686 0.88 CYP3A4 (0.42) CHRNA7DRD2DRD3NAMPTJAK2
SCHEMBL874210 0.87 MAPT (0.40) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874151 0.85 CYP3A4 (0.40) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874083 0.85 KDM4E (0.38) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874025 0.84 NAMPT (0.41) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874152 0.83 CHRNA7 (0.37) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874571 0.83 MAPT (0.38) 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