SCHEMBL10085010

SCHEMBL10085010

CCCn1c(=O)ccc(C)ccc(C)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.42
ADORA2A P29274 8/20 0.42
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
ADORA3 P0DMS8 4/20 0.38
ADORA1 P30542 2/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4467734 0.79 TSHR (0.43) ADORA2BADORA2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9118472 0.69 KDM4E (0.39) ADORA2BADORA2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1702032 0.69 TSHR (0.55) ADORA2BADORA2APKMKDM4EALDH1A1
SCHEMBL7866286 0.67 ADORA2B (0.79) ADORA2BADORA2AKDM4EALDH1A1MAPK1
SCHEMBL1546096 0.67 MAPT (0.49) ADORA2BADORA2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3297433 0.67 KMT2A (0.54) ADORA2BADORA2AALDH1A1SMN1; SMN2GLA
SCHEMBL10084476 0.67 ADORA3 (0.49) ADORA2BKDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL17979387 0.67 MAPT (0.45) ADORA2BADORA2AKDM4ERXFP1MAPT
SCHEMBL17935736 0.65 APEX1 (0.54) ADORA2BADORA2AKDM4ESMN1; SMN2GLA
SCHEMBL559878 0.65 MAPT (0.50) ADORA2BADORA2AKDM4ESMN1; SMN2GLA

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-2012004732-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-01-12 WO disclosed