SCHEMBL21037232

SCHEMBL21037232

CCCn1c(=O)[nH]c(=O)n(CCCCCCC#N)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
NPSR1 Q6W5P4 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
APEX1 P27695 1/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
ATM Q13315 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL19336852 0.79 HTT (0.49) ADORA2BAPEX1MAPTSMN1; SMN2HTT
SCHEMBL31098153 0.79 HTT (0.49) ADORA2BAPEX1MAPTSMN1; SMN2HTT
SCHEMBL8945262 0.79 NPSR1 (0.50) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL17935736 0.79 APEX1 (0.54) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL191729 0.77 NPSR1 (0.58) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL16004445 0.77 NPSR1 (0.52) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL11637084 0.75 MAPT (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL16004375 0.74 NPSR1 (0.58) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL16004435 0.71 NPSR1 (0.53) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL31098092 0.71 MGLL (0.53) ADORA2BAPEX1MAPTSMN1; SMN2HTT

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-2019102142-A1 POLYURETHANE-BASED COMPOSITION BOSTIK SA (FR) 2019-05-31 WO disclosed