SCHEMBL10761771

SCHEMBL10761771

COc1cc(SC)ccc1-c1nc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 9/20 0.41
▸ NPBWR1 P48145 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ DGAT1 O75907 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ CRHR1 P34998 1/20 0.36

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
SCHEMBL10576332 0.85 AMY1A (0.38) AMY1ANPC1HSP90AA1PKMRAB9A
SCHEMBL10748145 0.84 DGAT1 (0.48) AMY1ANPBWR1PDE5APDE3BPDE3A
SCHEMBL10760630 0.80 CDK4 (0.43) AMY1ANPBWR1PDE5APDE3BPDE3A
SCHEMBL10765920 0.80 AMY1A (0.39) AMY1ANPBWR1PDE5APDE3BPDE3A
SCHEMBL10577353 0.80 NPC1 (0.37) AMY1ANPC1HSP90AA1PKMRAB9A
SCHEMBL10760601 0.80 MAPK10 (0.42) AMY1ANPC1HSP90AA1PKMRAB9A
SCHEMBL10766038 0.79 NPBWR1 (0.58) NPBWR1NPC1RAB9ADGAT1KCNH2
SCHEMBL10575332 0.79 NPC1 (0.36) AMY1ANPC1HSP90AA1PKMRAB9A
SCHEMBL10695066 0.79 NPC1 (0.40) AMY1ANPC1HSP90AA1PKMRAB9A
SCHEMBL10759746 0.79 NPC1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209707-A2 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-01-28 — — EP disclosed
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