SCHEMBL9703617

SCHEMBL9703617

COc1cc(SC)ccc1-c1nc2cc3c(=O)[nH]c(C)c(C)c3cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 9/20 0.42
MAPK1 P28482 1/20 0.39
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PDE5A O76074 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.35
ERAP1 Q9NZ08 1/20 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
SCHEMBL9703323 0.84 CDK4 (0.47) AMY1APDE3BPDE3APDE5A
SCHEMBL9704539 0.82 AMY1A (0.40) AMY1APDE3BPDE3APDE5ANPC1
SCHEMBL9704521 0.82 CDK4 (0.42) AMY1APDE3BPDE3APDE5ATP53
SCHEMBL10700314 0.77 AMY1A (0.48) AMY1APDE3BPDE3ANPC1RAB9A
SCHEMBL10551871 0.76 AMY1A (0.40) AMY1APDE3BPDE3APDE5ANPC1
SCHEMBL10849719 0.76 AMY1A (0.41) AMY1AMAPK1PDE3BPDE3APDE5A
SCHEMBL9379210 0.75 NPC1 (0.55) MAPK1PDE3BPDE3ANPC1RAB9A
SCHEMBL10373868 0.73 PDE3B (0.49) AMY1APDE3BPDE3APDE5ANPC1
SCHEMBL10678386 0.73 PDE5A (0.49) AMY1APDE3BPDE3APDE5ANPC1
SCHEMBL10848272 0.73 PDE2A (0.40) MAPK1PDE3BPDE3APDE5ANPC1

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