SCHEMBL10695066

SCHEMBL10695066

COc1cc(SC)ccc1-c1nc2cc(C(C)(C)CNC(C)=O)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ HPGD P15428 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ AMY1A P0DUB6 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NLRP3 Q96P20 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
SCHEMBL10695069 0.93 NPC1 (0.40) NPC1RAB9AHSP90AA1PKMPDE5A
SCHEMBL10577353 0.86 NPC1 (0.37) NPC1RAB9AHSP90AA1PKMPDE5A
SCHEMBL10575332 0.85 NPC1 (0.36) NPC1RAB9AHSP90AA1PKMPDE5A
SCHEMBL10695060 0.85 NPC1 (0.40) NPC1RAB9AHSP90AA1PKMPDE5A
SCHEMBL10576332 0.84 AMY1A (0.38) NPC1RAB9AHSP90AA1PKMPDE5A
SCHEMBL10761771 0.79 AMY1A (0.41) NPC1RAB9AHSP90AA1PKMPDE5A
SCHEMBL10572968 0.79 NPC1 (0.35) NPC1RAB9AHSP90AA1PKMHPGD
SCHEMBL10695056 0.79 AMY1A (0.41) MTNR1AMTNR1BAMY1AMAPT
SCHEMBL10759746 0.78 NPC1 (0.44) NPC1RAB9AHSP90AA1PKMPDE5A
SCHEMBL10575337 0.78 AMY1A (0.37) NPC1RAB9AHSP90AA1PKMPDE5A

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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