SCHEMBL21005805

SCHEMBL21005805

C=CC(/C=C/c1ccc(N(C)CCCN)cc1)=C\C=N\CCSSCC[n+]1ccc(/C=C/c2ccc(N(C)CCCN)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.34
▸ KDM2A Q9Y2K7 2/20 0.34
▸ 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

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
SCHEMBL21005806 0.97 KDM4A (0.32) KDM4AKDM2A
SCHEMBL21005820 0.97 KDM4A (0.38) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL18774311 0.92 KDM4A (0.34) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL12451468 0.87 KDM4A (0.43) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL18774292 0.83 CHRM2 (0.35) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL18774422 0.83 KDM4A (0.32) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL16070280 0.82 APP (0.32) —
SCHEMBL16070447 0.77 KDM4A (0.48) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL21005628 0.77 — —
SCHEMBL21005576 0.76 KDM4A (0.34) KDM4AKDM2A

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-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
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