SCHEMBL7272018

SCHEMBL7272018

CCC[S+]([O-])c1ccc(-c2nc3cnccc3[nH]2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
AAK1 Q2M2I8 1/20 0.38
PDE2A O00408 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
AMY1A P0DUB6 6/20 0.36
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
SLC2A1 P11166 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 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
SCHEMBL7270954 0.92 PDE5A (0.48) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7274851 0.91 PDE5A (0.41) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636113 0.87 PDE5A (0.46) PDE5APDE3BPDE3AKDM4EALDH1A1
Isomazole SCHEMBL145963 0.86 PDE5A (0.51) PDE5APDE3BPDE3AKDM4EALDH1A1
Isomazole SCHEMBL30578156 0.86 PDE5A (0.51) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9635800 0.86 PDE5A (0.45) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634484 0.86 PDE5A (0.45) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL10960839 0.85 PDE5A (0.35) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7270623 0.85 PDE5A (0.45) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636268 0.85 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1

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 7 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-4904785-A INOTROPIC AGENTS FOR CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
US-4758574-A 2-phenylimidazio (4,5-c) pyridines ELI LILLY AND COMPANY (US) 1988-07-19 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-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed