SCHEMBL7271969

SCHEMBL7271969

COc1cc(OCC[S+](C)[O-])ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
PDE2A O00408 1/20 0.44
AAK1 Q2M2I8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.36
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
GCGR P47871 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
AMY1A P0DUB6 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
SCHEMBL10416976 0.95 PDE5A (0.45) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL7271065 0.92 PDE2A (0.44) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL7272114 0.90 PDE5A (0.44) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL7278516 0.88 PDE5A (0.44) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL10416668 0.87 PDE5A (0.43) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL10416712 0.87 PDE2A (0.43) PDE5APDE3BPDE3APDE2AKDM4E
SCHEMBL7281375 0.84 PDE5A (0.51) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL7278114 0.84 PDE5A (0.42) PDE5APDE3BPDE3AAAK1KDM4E
SCHEMBL10416665 0.84 PDE5A (0.47) PDE5APDE3BPDE3APDE2AAAK1
SCHEMBL10961738 0.83 AURKA (0.39) PDE5APDE3BPDE3APDE2AKDM4E

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