SCHEMBL9703453

SCHEMBL9703453

COc1cc([S+](C)[O-])ccc1-c1nc2cc3c(cc2[nH]1)CC(C)(C)C(=O)N3

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 13/20 0.37
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE5A O76074 1/20 0.35
AURKA O14965 2/20 0.33
AURKB Q96GD4 1/20 0.33
KDR P35968 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PDE2A O00408 1/20 0.32

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
SCHEMBL9703536 0.86 TP53 (0.42) AMY1APDE3BPDE3APDE4APDE4B
SCHEMBL9703372 0.84 AMY1A (0.38) AMY1APDE3BPDE3APDE4APDE4B
SCHEMBL10373752 0.82 PDE3B (0.48) AMY1APDE3BPDE3APDE4APDE4B
SCHEMBL9703649 0.79 AMY1A (0.43) AMY1APDE3BPDE3APDE5ATP53
SCHEMBL10852513 0.78 AMY1A (0.40) AMY1APDE3BPDE3APDE5ATP53
SCHEMBL10558256 0.78 AMY1A (0.39) AMY1APDE3BPDE3APDE5APDE2A
SCHEMBL9703362 0.77 PDE5A (0.37) AMY1APDE3BPDE3APDE4APDE4B
SCHEMBL10697003 0.77 AMY1A (0.45) AMY1APDE3BPDE3APDE4APDE4B
SCHEMBL9703428 0.77 PDE3B (0.41) AMY1APDE3BPDE3APDE4APDE4B
SCHEMBL9702924 0.76 AMY1A (0.41) AMY1APDE3BPDE3APDE5ATP53

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