SCHEMBL18774397

SCHEMBL18774397

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 6/20 0.49
KDM2A Q9Y2K7 6/20 0.49
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
CASP7 P55210 1/20 0.35
HBB P68871 1/20 0.35
LMNA P02545 1/20 0.35
ALPG P10696 1/20 0.35

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
SCHEMBL1828564 0.95 KDM4A (0.47) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL1828561 0.95 KDM4A (0.47) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL16070447 0.89 KDM4A (0.48) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL16070431 0.83 KDM4A (0.44) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL15468879 0.82 CHRM2 (0.44) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL12219543 0.82 KDM4A (0.49) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL10104193 0.81 CHRM2 (0.46) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL10104167 0.81 KDM4A (0.48) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL10104172 0.80 KDM4A (0.47) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL10104095 0.79 KDM4A (0.44) KDM4AKDM2ACHRM2CHRM4CHRM5

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-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 EP disclosed