SCHEMBL9634871

SCHEMBL9634871

COc1cc(SCC#N)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 2/20 0.42
AMY1A P0DUB6 6/20 0.38
AAK1 Q2M2I8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
PDE10A Q9Y233 1/20 0.36
HPSE Q9Y251 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
SCHEMBL9635715 0.90 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL10742496 0.87 PDE5A (0.43) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7272787 0.87 PDE5A (0.50) PDE5APDE3BPDE3AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7270687 0.86 PDE5A (0.50) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7271872 0.85 PDE5A (0.48) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7271721 0.83 PDE5A (0.53) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634366 0.83 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL7278459 0.83 PDE5A (0.47) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL11018705 0.83 AMY1A (0.47) PDE5AKDM4EALDH1A1TP53AMY1A
SCHEMBL11009297 0.82 PDE5A (0.35) 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 2 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