SCHEMBL10693982

SCHEMBL10693982

COc1c(S)cc(C)cc1-c1nc2cc(C(C)(C)CN)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 7/20 0.38
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPBWR1 P48145 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ F2 P00734 1/20 0.30
▸ F10 P00742 1/20 0.30

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
SCHEMBL10576208 0.84 AMY1A (0.34) AMY1A
SCHEMBL10580031 0.84 AMY1A (0.46) AMY1AKDM4EALDH1A1GAAMAPT
SCHEMBL10577465 0.75 NPBWR1 (0.53) KDM4EALDH1A1MAPTNPBWR1NPC1
SCHEMBL10574074 0.74 AMY1A (0.47) AMY1ASLC2A1NR1I2
SCHEMBL10415589 0.74 PDE5A (0.43) AMY1AKDM4EALDH1A1GAAMAPT
SCHEMBL10573902 0.74 NPC1 (0.54) KDM4EALDH1A1GAAMAPTNPBWR1
SCHEMBL10575959 0.73 AMY1A (0.38) AMY1ASLC2A1NPC1RAB9ANR1I2
SCHEMBL10576332 0.73 AMY1A (0.38) AMY1ASLC2A1NPC1RAB9A
SCHEMBL10579198 0.73 ALOX5 (0.53) AMY1AKDM4EALDH1A1GAAMAPT
SCHEMBL10577409 0.73 AMY1A (0.36) AMY1AKDM4EALDH1A1GAAMAPT

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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