SCHEMBL19903920

SCHEMBL19903920

CCSSCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 6/20 0.61
KDM2A Q9Y2K7 6/20 0.61
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
CASP1 P29466 2/20 0.51
HBB P68871 2/20 0.51
GAA P10253 1/20 0.51
BRCA1 P38398 1/20 0.51
CASP7 P55210 1/20 0.51
LMNA P02545 1/20 0.51
ALPG P10696 1/20 0.51
THRB P10828 1/20 0.51
GFER P55789 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45

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
SCHEMBL10104166 0.94 KDM4A (0.63) KDM4AKDM2AMEN1KMT2AMAPT
Bromide SCHEMBL339322 0.92 KDM4A (0.61) KDM4AKDM2AMEN1KMT2AMAPT
Bromide SCHEMBL339321 0.92 KDM4A (0.61) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL10313125 0.89 KDM4A (0.56) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL12201183 0.87 KDM4A (0.58) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL19649090 0.83 KDM4A (0.61) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL10104442 0.82 KDM4A (0.74) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL10104197 0.82 KDM4A (0.74) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL14984144 0.82 KDM4A (0.73) KDM4AKDM2AMEN1KMT2AMAPT
SCHEMBL10104220 0.82 KDM4A (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651374-B1 PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR L'ORÉAL (FR) 2018-02-28 EP disclosed