SCHEMBL9634729

SCHEMBL9634729

CCOC(=O)Cc1ccc(-c2nc3cnccc3[nH]2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
HSD17B10 Q99714 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
HPSE Q9Y251 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37

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
SCHEMBL9635660 0.91 PDE5A (0.50) PDE5APDE3BPDE3AHSD17B10HPSE
SCHEMBL9636129 0.88 PDE5A (0.51) PDE5APDE3BPDE3AHPSEKDM4E
SCHEMBL9634814 0.84 ADORA2B (0.48) PDE5APDE3BPDE3AHSD17B10PKN1
SCHEMBL9634654 0.84 PDE5A (0.53) PDE5APDE3BPDE3AHSD17B10KDM4E
SCHEMBL9634726 0.83 PDE5A (0.46) PDE5APDE3BPDE3AHSD17B10KDM4E
SCHEMBL9635629 0.82 PDE5A (0.44) PDE5APDE3BPDE3APKN1PKN2
SCHEMBL10748751 0.79 PDE5A (0.51) PDE5APDE3BPDE3AHSD17B10HPSE
SCHEMBL10742502 0.79 PDE5A (0.50) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634881 0.78 PDE5A (0.51) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634369 0.78 PDE5A (0.49) 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 3 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