SCHEMBL10573285

SCHEMBL10573285

CN(C)c1ccc(-c2nc3cc(C(C)(C)CNC=O)ccc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ AURKA O14965 7/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GUSB P08236 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ NPBWR1 P48145 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ ADORA2B P29275 1/20 0.35
▸ FASN P49327 1/20 0.35

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
SCHEMBL10573294 0.92 TCF4 (0.53) TCF4CTNNB1AURKASIRT2SIRT1
SCHEMBL10580688 0.89 HDAC6 (0.52) HDAC6MAPTNPBWR1PARP1TRPV1
SCHEMBL10574665 0.88 NPBWR1 (0.47) HDAC6KDM4ENPC1MAPTRAB9A
SCHEMBL10577324 0.87 DGAT1 (0.46) HDAC6GUSBMAPTNPBWR1TRPV1
SCHEMBL10578691 0.87 GUSB (0.43) SIRT2SIRT1HDAC6KDM4ENPC1
SCHEMBL10577985 0.87 NPBWR1 (0.46) HDAC6RAB9ANPBWR1TRPV1
SCHEMBL10578441 0.87 HDAC6 (0.46) HDAC6KDM4ENPC1MAPTRAB9A
SCHEMBL10574691 0.86 KDM4E (0.43) HDAC6KDM4ENPC1GUSBMAPT
SCHEMBL10574269 0.85 NPC1 (0.48) HDAC6KDM4ENPC1GUSBMAPT
SCHEMBL10571887 0.83 KIT (0.39) HDAC6KDM4ENPC1MAPTRAB9A

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
Send feedback