SCHEMBL5600396

SCHEMBL5600396

CN(C)C(Cl)COc1cccc(Cc2nccn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL5601238 0.89 POLB (0.39) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL5601407 0.85 MEN1 (0.44) MEN1KMT2AMAPTLMNA
SCHEMBL5599092 0.79 KDM4E (0.34) POLBMEN1KMT2AKDM4ELMNA
SCHEMBL6647736 0.77 KDM4E (0.37) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL5599079 0.74 KMT2A (0.42) MEN1KMT2AMAPTLMNA
SCHEMBL5601356 0.74 CHRNB2 (0.39) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL5599146 0.73 OPRK1 (0.46) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL6649435 0.72 OPRK1 (0.37) POLBMEN1KMT2AKDM4EOPRK1
SCHEMBL20204951 0.71 CYP11B1 (0.45) POLBMEN1KMT2AMAPTOPRK1
SCHEMBL6651103 0.70 OPRK1 (0.36) POLBMEN1KMT2AKDM4EMAPT

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
EP-1746986-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP disclosed
WO-2005097099-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO disclosed