SCHEMBL7272842

SCHEMBL7272842

CCCOc1cc(SC)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.50
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
GCGR P47871 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TEK Q02763 2/20 0.35

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
SCHEMBL7278432 0.91 PDE5A (0.43) PDE5APDE3BPDE3AKDM4ENPSR1
SCHEMBL10415609 0.90 PDE5A (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10417487 0.87 PDE5A (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7271721 0.85 PDE5A (0.53) PDE5APDE3BPDE3AKDM4ETEK
SCHEMBL9634379 0.85 PDE5A (0.38) PDE5APDE3BPDE3AKDM4ENPSR1
SCHEMBL9636120 0.85 PDE5A (0.38) PDE5AGCGRMAPK14PDE3BPDE3A
SCHEMBL9634482 0.85 PDE5A (0.38) PDE5APDE3BPDE3AKDM4ENPSR1
Hydrochloric Acid SCHEMBL9838283 0.84 PDE5A (0.53) PDE5APDE3BPDE3AKDM4ETEK
Hydrochloric Acid SCHEMBL7277930 0.84 PDE5A (0.53) PDE5APDE3BPDE3AKDM4ETEK
SCHEMBL7279533 0.84 PDE5A (0.45) PDE5APDE4APDE4BPDE4CPDE4D

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-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
EP-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed