SCHEMBL10575156

SCHEMBL10575156

COc1ccc(-c2nc3ccc(C(C)(C)CNS(C)(=O)=O)cc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ TRPV1 Q8NER1 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPBWR1 P48145 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ CHEK2 O96017 7/20 0.49

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
SCHEMBL10575145 0.92 SMN1; SMN2 (0.47) SLC2A1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL10578112 0.90 TRPV1 (0.53) SLC2A1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL10572946 0.89 SLC2A1 (0.51) SLC2A1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL10576976 0.88 SLC2A1 (0.50) SLC2A1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL10573691 0.87 SMN1; SMN2 (0.57) SLC2A1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL10578129 0.86 SCD (0.55) SMN1; SMN2NPC1RAB9ATRPV1MAPT
SCHEMBL10574279 0.84 SLC2A1 (0.55) SLC2A1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL10578101 0.82 TRPV1 (0.46) SLC2A1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL10573910 0.81 SLC2A1 (0.62) SLC2A1SMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL10572942 0.81 SMN1; SMN2 (0.45) SLC2A1SMN1; SMN2NPC1RAB9ATRPV1

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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