SCHEMBL9636101

SCHEMBL9636101

C#CCOc1ccc(OC)c(-c2nc3cnccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ TOP1 P11387 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ MAOB P27338 3/20 0.40
▸ MAOA P21397 2/20 0.40
▸ AMY1A P0DUB6 4/20 0.39
▸ PDE2A O00408 1/20 0.37
▸ MELK Q14680 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9634342 0.92 PDE5A (0.41) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL9634540 0.92 PDE5A (0.47) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL10962083 0.91 PDE5A (0.42) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL9636217 0.91 MAOB (0.41) PDE5AKDM4EALDH1A1HPGDTOP1
SCHEMBL10740337 0.87 TOP1 (0.41) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL9634591 0.86 TOP1 (0.40) PDE5APDE3BPDE3ATOP1TOP2A
SCHEMBL7281035 0.85 PDE5A (0.55) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL9634736 0.85 PDE2A (0.47) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL9634582 0.84 PDE5A (0.40) PDE5AKDM4EALDH1A1HPGDPDE3B
Hydrochloric Acid SCHEMBL10844959 0.84 PDE5A (0.56) PDE5AKDM4EALDH1A1HPGDPDE3B

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
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