SCHEMBL4572021

SCHEMBL4572021

C=C(C)c1cc(C(C)(C)C)cc(-n2nc3ccc(Cl)cc3n2)c1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
CNR2 P34972 1/20 0.31
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2814977 0.86 NPC1 (0.45) NPC1RAB9AKDM4EMAPTPOLB
SCHEMBL13260938 0.85 NR1I2 (0.33) NPC1RAB9AKDM4EMAPTATM
SCHEMBL9408759 0.84 NPC1 (0.40) NPC1RAB9AKDM4EMAPTATM
SCHEMBL29814540 0.84 NPC1 (0.45) NPC1RAB9AKDM4EMAPTATM
SCHEMBL5809113 0.84 NPC1 (0.45) NPC1RAB9AKDM4EMAPTATM
SCHEMBL29349567 0.83 NPC1 (0.41) NPC1RAB9AKDM4EMAPTATM
SCHEMBL29241 0.83 NPC1 (0.41) NPC1RAB9AKDM4EMAPTATM
SCHEMBL20591060 0.81 NPC1 (0.40) NPC1RAB9AKDM4EMAPTATM
SCHEMBL1263224 0.81 ALDH1A1 (0.40) NPC1RAB9AKDM4EMAPTATM
SCHEMBL20592414 0.81 NPC1 (0.39) NPC1RAB9AKDM4EMAPTATM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012097853-A1 LIQUID CRYSTALLINE MEDIA, COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 WO disclosed
US-20120119141-A1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING THE SAME MERCK PATENT GMBH (DE) 2012-05-17 US disclosed
WO-2011009524-A1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING THE SAME MERCK PATENT GMBH (DE) 2011-01-27 WO disclosed
EP-2100944-A1 Liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2009-09-16 EP disclosed
WO-2008138456-A1 MODULATION ELEMENTS FOR ELECTROMAGNETIC RADIATION, MODULATION DEVICE AND MODULATION MEDIUM MERCK PATENT GMBH (DE) 2008-11-20 WO disclosed