SCHEMBL9635443

SCHEMBL9635443

C#CCOc1ccccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.53
MAOB P27338 3/20 0.46
PDE4A P27815 7/20 0.41
PDE4B Q07343 7/20 0.41
PDE4C Q08493 7/20 0.41
PDE4D Q08499 7/20 0.41
PDE10A Q9Y233 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL9634602 0.88 PDE5A (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9634835 0.87 PDE5A (0.49) PDE5AMAOBKDM4EALDH1A1
SCHEMBL2310980 0.86 ALDH1A1 (0.54) PDE5AMAOBPDE4APDE4BPDE4C
SCHEMBL9634411 0.86 PDE5A (0.44) PDE5AMAOBPDE10AKDM4EALDH1A1
SCHEMBL10736882 0.85 MAOB (0.48) PDE5AMAOBPDE4APDE4BPDE4C
SCHEMBL9634591 0.85 TOP1 (0.40) PDE5AMAOBMAOA
SCHEMBL9634658 0.84 PDE5A (0.52) PDE5APDE10AKDM4EALDH1A1
SCHEMBL9634554 0.84 CDK4 (0.40) PDE5AMAOBKDM4EALDH1A1
SCHEMBL9635639 0.84 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9634920 0.83 PDE5A (0.44) PDE5APDE10AKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed