SCHEMBL13428287

SCHEMBL13428287

CC[n+]1ccc(C=Cc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 4/20 0.69
KDM2A Q9Y2K7 4/20 0.69
MEN1 O00255 8/20 0.62
KMT2A Q03164 8/20 0.62
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 4/20 0.62
HTT P42858 4/20 0.62
LMNA P02545 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
CASP1 P29466 2/20 0.62
HBB P68871 2/20 0.62
THRB P10828 2/20 0.62
GAA P10253 1/20 0.62
BRCA1 P38398 1/20 0.62
CASP7 P55210 1/20 0.62
ALPG P10696 1/20 0.62
GFER P55789 1/20 0.62
RAB9A P51151 6/20 0.56
NPC1 O15118 4/20 0.56

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
SCHEMBL9278791 1.00 KDM4A (0.69) KDM4AKDM2AMEN1KMT2AMAPT
Iodide SCHEMBL7033849 0.98 KDM4A (0.69) KDM4AKDM2AMEN1KMT2AMAPT
Iodide SCHEMBL7033857 0.98 KDM4A (0.69) KDM4AKDM2AMEN1KMT2AMAPT
Perchlorate SCHEMBL11791274 0.93 KDM4A (0.61) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL141913 0.93 APP (0.63) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL141912 0.93 APP (0.63) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL14984144 0.89 KDM4A (0.73) KDM4AKDM2AMEN1KMT2AMAPT
Perchlorate SCHEMBL1405558 0.87 KMT2A (0.57) KDM4AKDM2AMEN1KMT2AMAPT
Perchlorate SCHEMBL1405557 0.87 KMT2A (0.57) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL7025950 0.87 KDM4A (0.55) KDM4AKDM2AMEN1KMT2AMAPT

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-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-20100059740-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2010-03-11 US disclosed