SCHEMBL10575959

SCHEMBL10575959

COc1ccc(SC)cc1-c1nc2cc(C(C)(C)CN)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 11/20 0.38
▸ SLC2A1 P11166 1/20 0.36
▸ NR1I2 O75469 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL10693991 0.92 AMY1A (0.45) AMY1APDE5ACHEK2
SCHEMBL10576332 0.92 AMY1A (0.38) AMY1ASLC2A1NPC1HSP90AA1PKM
SCHEMBL10696818 0.85 NR1I2 (0.36) AMY1ASLC2A1NR1I2NPC1HSP90AA1
SCHEMBL10572968 0.84 NPC1 (0.35) AMY1ANR1I2NPC1HSP90AA1PKM
SCHEMBL10580044 0.83 AMY1A (0.41) AMY1ANPC1HSP90AA1PKMRAB9A
SCHEMBL10579198 0.79 ALOX5 (0.53) AMY1ACHEK2
SCHEMBL10574074 0.79 AMY1A (0.47) AMY1ASLC2A1NR1I2HSP90AA1
SCHEMBL10576214 0.77 AMY1A (0.41) AMY1ANR1I2NPC1HSP90AA1PKM
SCHEMBL10577353 0.77 NPC1 (0.37) AMY1ASLC2A1NPC1HSP90AA1PKM
SCHEMBL10761771 0.76 AMY1A (0.41) AMY1ANPC1HSP90AA1PKMRAB9A

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-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP disclosed
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