SCHEMBL10695056

SCHEMBL10695056

COc1c(-c2nc3cc(C(C)(C)CNC(C)=O)ccc3[nH]2)ccc(C)c1S

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 2/20 0.41
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACACB O00763 2/20 0.33
▸ LDLR P01130 1/20 0.32
▸ VSIR Q9H7M9 1/20 0.32

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
SCHEMBL10575328 0.85 AMY1A (0.41) AMY1AMAPTTP53SMN1; SMN2
SCHEMBL10580031 0.83 AMY1A (0.46) AMY1AMAPTSMN1; SMN2
SCHEMBL10695066 0.79 NPC1 (0.40) AMY1AMTNR1AMTNR1BMAPT
SCHEMBL10576178 0.77 NPBWR1 (0.46) MAPTTP53SMN1; SMN2
SCHEMBL11019903 0.77 AMY1A (0.47) AMY1AMAPTTP53SMN1; SMN2
SCHEMBL11018142 0.77 AMY1A (0.43) AMY1AMAPTTP53SMN1; SMN2
SCHEMBL10574919 0.76 MTNR1A (0.40) MTNR1AMTNR1BMAPTSMN1; SMN2ACACB
SCHEMBL11020728 0.76 AMY1A (0.48) AMY1AMAPTTP53SMN1; SMN2
SCHEMBL11017268 0.75 CHEK2 (0.47) AMY1AMAPTTP53SMN1; SMN2
SCHEMBL10578748 0.75 KDM4E (0.51) MAPTTP53SMN1; SMN2

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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