SCHEMBL874837

SCHEMBL874837

CCNc1nc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)ccc1C(=O)NCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAMPT P43490 2/20 0.36
ATM Q13315 2/20 0.36
CHRNA7 P36544 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
DGAT1 O75907 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ROCK1 Q13464 1/20 0.34
JAK2 O60674 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL874082 0.91 MAPT (0.38) KMT2AMAPTKDM4EHPGDSMN1; SMN2
SCHEMBL873584 0.90 KMT2A (0.40) KMT2AMAPTKDM4EHPGDSMN1; SMN2
SCHEMBL874570 0.90 MOK (0.43) KMT2AMAPTKDM4EHPGDSMN1; SMN2
SCHEMBL874210 0.89 MAPT (0.40) KMT2AMAPTKDM4EHPGDSMN1; SMN2
SCHEMBL874291 0.88 CHRNA7 (0.39) KMT2AMAPTKDM4EHPGDSMN1; SMN2
SCHEMBL875385 0.88 MAPT (0.40) KMT2AMAPTKDM4EHPGDSMN1; SMN2
SCHEMBL874686 0.86 CYP3A4 (0.42) NAMPTCHRNA7DRD2DRD3JAK2
SCHEMBL874151 0.83 CYP3A4 (0.40) MAPTKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL874083 0.83 KDM4E (0.38) KMT2AMAPTKDM4EHPGDSMN1; SMN2
SCHEMBL874025 0.82 NAMPT (0.41) KMT2AMAPTKDM4EHPGDSMN1; SMN2

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