SCHEMBL10696818

SCHEMBL10696818

COc1ccc(SC)cc1-c1nc2cc(C(C)(C=O)CCN)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ AMY1A P0DUB6 9/20 0.35
▸ CHEK2 O96017 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33

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
SCHEMBL10575959 0.85 AMY1A (0.38) NR1I2NPC1HSP90AA1PKMRAB9A
SCHEMBL10572968 0.84 NPC1 (0.35) NR1I2NPC1HSP90AA1PKMRAB9A
SCHEMBL10693991 0.77 AMY1A (0.45) AMY1ACHEK2
SCHEMBL10576332 0.77 AMY1A (0.38) NPC1HSP90AA1PKMRAB9AAMY1A
SCHEMBL10577353 0.77 NPC1 (0.37) NPC1HSP90AA1PKMRAB9AAMY1A
SCHEMBL10576214 0.77 AMY1A (0.41) NR1I2NPC1HSP90AA1PKMRAB9A
SCHEMBL10765326 0.72 MAPK10 (0.42) NPC1HSP90AA1PKMRAB9AAMY1A
SCHEMBL10761771 0.72 AMY1A (0.41) NPC1HSP90AA1PKMRAB9AAMY1A
SCHEMBL10695066 0.72 NPC1 (0.40) NPC1HSP90AA1PKMRAB9AAMY1A
SCHEMBL10575332 0.72 NPC1 (0.36) NR1I2NPC1HSP90AA1PKMRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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