SCHEMBL10573294

SCHEMBL10573294

CN(C)c1ccc(-c2nc3ccc(C(C)(C)CNC=O)cc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.53
▸ CTNNB1 P35222 1/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ AURKA O14965 2/20 0.46
▸ NPBWR1 P48145 4/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.43
▸ SCD O00767 1/20 0.43
▸ DGAT1 O75907 5/20 0.42
▸ KCNH2 Q12809 4/20 0.42
▸ SOAT1 P35610 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CHEK2 O96017 2/20 0.41

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
SCHEMBL10573285 0.92 TCF4 (0.45) TCF4CTNNB1SIRT2SIRT1AURKA
SCHEMBL10574680 0.88 NPBWR1 (0.59) NPBWR1HDAC6TRPV1SCDDGAT1
SCHEMBL10578004 0.87 NPBWR1 (0.58) NPBWR1TRPV1DGAT1KCNH2SOAT1
SCHEMBL10577338 0.87 DGAT1 (0.57) NPBWR1HDAC6TRPV1SCDDGAT1
SCHEMBL10578710 0.87 MEN1 (0.49) SIRT2SIRT1NPBWR1HDAC6TRPV1
SCHEMBL10578455 0.87 NPBWR1 (0.56) NPBWR1HDAC6TRPV1SCDDGAT1
SCHEMBL10574710 0.86 NPC1 (0.51) NPBWR1HDAC6TRPV1SCDDGAT1
SCHEMBL10574279 0.85 SLC2A1 (0.55) NPBWR1TRPV1TP53MAPTSMN1; SMN2
SCHEMBL10576865 0.83 HDAC6 (0.43) NPBWR1HDAC6TRPV1SCDDGAT1
SCHEMBL10571906 0.83 DGAT1 (0.42) NPBWR1HDAC6TRPV1SCDDGAT1

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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