SCHEMBL9635716

SCHEMBL9635716

COc1cc(OC(C)=O)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.54
▸ PDE3B Q13370 3/20 0.54
▸ PDE3A Q14432 3/20 0.54
▸ PDE2A O00408 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ AMY1A P0DUB6 3/20 0.41
▸ HPSE Q9Y251 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL7270959 0.87 PDE2A (0.58) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL9635694 0.86 PDE5A (0.51) PDE5APDE3BPDE3APDE2AALDH1A1
Hydrochloric Acid SCHEMBL7272531 0.86 PDE2A (0.57) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL9634292 0.84 PDE5A (0.49) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL9635076 0.83 PDE5A (0.48) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL10744182 0.82 PDE5A (0.52) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL10847776 0.82 PDE5A (0.54) PDE5APDE3BPDE3AALDH1A1HPGD
SCHEMBL7281375 0.82 PDE5A (0.51) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL7282149 0.81 CDK4 (0.56) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL9634814 0.81 ADORA2B (0.48) PDE5APDE3BPDE3APDE2AALDH1A1

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
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