SCHEMBL7271872

SCHEMBL7271872

CCCSc1ccc(-c2nc3cnccc3[nH]2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
AR P10275 2/20 0.42
AMY1A P0DUB6 5/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
PDE2A O00408 1/20 0.38
CDK4 P11802 1/20 0.38

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
SCHEMBL7278459 0.94 PDE5A (0.47) PDE5APDE3BPDE3AHPGDKDM4E
SCHEMBL7272787 0.91 PDE5A (0.50) PDE5APDE3BPDE3AHPGDKDM4E
SCHEMBL7279533 0.90 PDE5A (0.45) PDE5APDE3BPDE3AHPGDKDM4E
Hydrochloric Acid SCHEMBL7270687 0.90 PDE5A (0.50) PDE5APDE3BPDE3AHPGDKDM4E
SCHEMBL7271721 0.85 PDE5A (0.53) PDE5APDE3BPDE3AHPGDKDM4E
SCHEMBL9634366 0.85 PDE5A (0.47) PDE5APDE3BPDE3AHPGDKDM4E
SCHEMBL9634871 0.85 PDE5A (0.47) PDE5APDE3BPDE3AHPGDKDM4E
SCHEMBL9635715 0.85 PDE5A (0.47) PDE5APDE3BPDE3AHPGDKDM4E
SCHEMBL7281156 0.84 PDE5A (0.48) PDE5APDE3BPDE3AHPGDKDM4E
SCHEMBL9636125 0.84 PDE5A (0.48) PDE5APDE3BPDE3AHPGDKDM4E

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 7 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-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-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-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed