SCHEMBL10578447

SCHEMBL10578447

CC(C)(CNC=O)c1ccc2nc(-c3ccnnc3)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 5/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.39
▸ DGAT1 O75907 4/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ SCD O00767 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SOAT1 P35610 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL10578437 0.92 HDAC6 (0.35) NPBWR1HDAC6TRPV1AAK1NPC1
SCHEMBL10574710 0.88 NPC1 (0.51) NPBWR1HDAC6TRPV1DGAT1KCNH2
SCHEMBL10578703 0.86 DGAT1 (0.55) NPBWR1DGAT1KCNH2NPC1RAB9A
SCHEMBL10571906 0.85 DGAT1 (0.42) NPBWR1HDAC6TRPV1DGAT1KCNH2
SCHEMBL10576865 0.85 HDAC6 (0.43) NPBWR1HDAC6TRPV1DGAT1KCNH2
SCHEMBL10578455 0.84 NPBWR1 (0.56) NPBWR1HDAC6TRPV1DGAT1KCNH2
SCHEMBL10579971 0.84 NPC1 (0.49) NPBWR1HDAC6TRPV1DGAT1KCNH2
SCHEMBL10574680 0.84 NPBWR1 (0.59) NPBWR1HDAC6TRPV1DGAT1KCNH2
SCHEMBL10574922 0.83 HDAC6 (0.43) NPBWR1HDAC6TRPV1DGAT1KCNH2
SCHEMBL10575422 0.83 HRH4 (0.41) NPBWR1HDAC6TRPV1DGAT1KCNH2

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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