SCHEMBL7272579

SCHEMBL7272579

COc1cc(OC)c(-c2nc3cnccc3[nH]2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.56
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
AMY1A P0DUB6 9/20 0.52
SLC2A1 P11166 1/20 0.45
CDK4 P11802 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
AAK1 Q2M2I8 1/20 0.41
TLR8 Q9NR97 1/20 0.41
S1PR1 P21453 1/20 0.41

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
Hydrochloric Acid SCHEMBL10847315 0.99 PDE5A (0.56) PDE5APOLBSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7272797 0.99 PDE5A (0.56) PDE5APOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL10869519 0.88 PDE5A (0.59) PDE5APOLBSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10963683 0.87 PDE5A (0.60) PDE5APOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL7270925 0.85 PDE5A (0.56) PDE5APOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL7270959 0.85 PDE2A (0.58) PDE5ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7281035 0.85 PDE5A (0.55) PDE5ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10650662 0.84 PDE5A (0.49) PDE5APOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL10961392 0.84 PDE5A (0.49) PDE5ASMN1; SMN2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL10844959 0.84 PDE5A (0.56) PDE5ASMN1; SMN2KDM4EALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904785-A INOTROPIC AGENTS FOR CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
US-4758574-A 2-phenylimidazio (4,5-c) pyridines ELI LILLY AND COMPANY (US) 1988-07-19 US disclosed
US-4603139-A 2-PHENYL-1H-IMIDAZOL(4,5-C)PYRIDINES, ANTICXOAGULANTS, CARDIOVASCULAR DISORDERS BURROUGHS WELLCOME CO. 1986-07-29 US disclosed
EP-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed
EP-0079083-A1 New imidazo[4,5-c]pyridine derivatives, processes for their preparation and pharmaceutical formulations containing such compounds MERCK PATENT GmbH (DE) 1983-05-18 EP disclosed