SCHEMBL19904076

SCHEMBL19904076

C/C=C(\C=C/NCCO)/C=C/c1ccc(N(C)CCSSCCN(C)c2ccc(/C=C/c3cc[n+](CCO)cc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 3/20 0.33
KDM2A Q9Y2K7 3/20 0.33
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
CHAT P28329 2/20 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
SCHEMBL10104036 0.83 KDM4A (0.45) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL18774381 0.79 MEN1 (0.41) CHAT
SCHEMBL18774315 0.78 KDM4A (0.35) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL12657271 0.77 MEN1 (0.44) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL18774373 0.77
SCHEMBL20320719 0.76 CHRM2 (0.42) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL18774287 0.74 CHRM2 (0.36) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL18774291 0.74 CHRM2 (0.36) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL16070565 0.74 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18774338 0.74 CHRM2 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2677990-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A SPARINGLY OR NON-ETHOXYLATED FATTY ALCOHOL, A CATIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT OREAL (FR) 2019-05-15 EP disclosed
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