SCHEMBL4189985

SCHEMBL4189985

[Li]c1cc(F)c(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.39
KDM1B Q8NB78 4/20 0.39
KCNH2 Q12809 2/20 0.39
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL15768690 0.89 KDM1A (0.34) KDM1AKDM1BKCNH2
SCHEMBL505780 0.82 KDM1A (0.48) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL29365213 0.76 KDM1A (0.44) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL28157241 0.76 KDM1A (0.44) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL345490 0.76 KDM1A (0.44) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL345437 0.73 KDM1A (0.43) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL502648 0.72 KDM1A (0.41) KDM1AKDM1BKCNH2NPC1RAB9A
SCHEMBL15897840 0.69 KDM1A (0.36) KDM1AKDM1BKCNH2
SCHEMBL29710388 0.68 AHR (0.39) KDM1AKDM1BKCNH2
SCHEMBL733675 0.68 AHR (0.39) KDM1AKDM1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032552-B1 Mesogenic compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2016-02-24 EP disclosed
EP-2032552-A1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2009-03-11 EP disclosed
WO-2007147516-A1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2007-12-27 WO disclosed