SCHEMBL9635629

SCHEMBL9635629

CCOC(=O)C[S+]([O-])c1ccc(-c2nc3cnccc3[nH]2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
HPSE Q9Y251 2/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
DHODH Q02127 1/20 0.34
AMY1A P0DUB6 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
SCHEMBL9636172 0.92 PDE5A (0.46) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636268 0.89 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7270954 0.85 PDE5A (0.48) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634355 0.84 PKN1 (0.46) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL7272018 0.84 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636075 0.82 PKN1 (0.43) PKN1PKN2KDM4EALDH1A1HPGD
SCHEMBL9634729 0.82 PDE5A (0.48) PDE5APDE3BPDE3APKN1PKN2
SCHEMBL9634726 0.81 PDE5A (0.46) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636113 0.81 PDE5A (0.46) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634814 0.80 ADORA2B (0.48) PDE5APDE3BPDE3APKN1PKN2

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