SCHEMBL9704436

SCHEMBL9704436

COc1cc([S+](C)[O-])ccc1-c1nc2cc3nc[nH]c(=O)c3cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.43
SRC P12931 1/20 0.39
AMY1A P0DUB6 5/20 0.38
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
PDE2A O00408 1/20 0.35
PARP1 P09874 2/20 0.34
CHEK1 O14757 1/20 0.34
PIM1 P11309 1/20 0.34
RPS6KA3 P51812 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL9702854 0.83 CDK4 (0.45) PDE5ASRCAMY1A
SCHEMBL9703649 0.82 AMY1A (0.43) PDE5AAMY1APDE3BPDE3APDE2A
SCHEMBL10852513 0.81 AMY1A (0.40) PDE5AAMY1APDE3BPDE3APDE2A
SCHEMBL9704539 0.80 AMY1A (0.40) PDE5AAMY1APDE3BPDE3ANPC1
SCHEMBL9702924 0.80 AMY1A (0.41) PDE5AAMY1APDE3BPDE3APDE2A
SCHEMBL10688023 0.79 FGFR1 (0.42) PDE5ASRCPDE3BPDE3APDE2A
SCHEMBL10373752 0.77 PDE3B (0.48) PDE5AAMY1APDE3BPDE3APDE2A
SCHEMBL9705442 0.77 KDM4E (0.41) PDE5AAMY1APDE3BPDE3APDE2A
SCHEMBL9703428 0.77 PDE3B (0.41) PDE5AAMY1APDE3BPDE3APDE2A
SCHEMBL10551908 0.75 AMY1A (0.39) PDE5AAMY1APDE3BPDE3APDE2A

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-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP disclosed