SCHEMBL19903918

SCHEMBL19903918

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 6/20 0.53
KDM2A Q9Y2K7 6/20 0.53
CHKA P35790 2/20 0.39
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
CASP7 P55210 1/20 0.37
HBB P68871 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ALPG P10696 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B3 P37058 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
SCHEMBL20320720 0.86 CHRM2 (0.38) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL20320719 0.76 CHRM2 (0.42) KDM4AKDM2AINSRCHRM2CHRM4
SCHEMBL12533259 0.76 KDM4A (0.88) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL19622405 0.75 HSD17B3 (0.47) MEN1MAPTKMT2ACASP1HBB
SCHEMBL12721377 0.74 MEN1 (0.33) KDM4AKDM2AMEN1KMT2A
SCHEMBL13645407 0.74 KDM4A (0.84) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL20320889 0.74 EGFR (0.35) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL14986920 0.72 KDM4A (0.54) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL14984138 0.71 KDM4A (0.79) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL10844380 0.71 KDM4A (1.00) KDM4AKDM2ACHKAMEN1MAPT

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