SCHEMBL19003845

SCHEMBL19003845

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 6/20 0.54
KDM2A Q9Y2K7 6/20 0.54
CHRM2 P08172 2/20 0.51
CHRM4 P08173 2/20 0.51
CHRM5 P08912 2/20 0.51
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
INSR P06213 2/20 0.40
CHKA P35790 2/20 0.37
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
APAF1 O14727 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
CHAT P28329 2/20 0.36

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
SCHEMBL19003868 1.00 KDM4A (0.54) KDM4AKDM2ACHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL18986708 0.99 KDM4A (0.52) KDM4AKDM2ACHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL18986826 0.99 KDM4A (0.52) KDM4AKDM2ACHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL18986707 0.99 KDM4A (0.52) KDM4AKDM2ACHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL18986825 0.99 KDM4A (0.52) KDM4AKDM2ACHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL18986660 0.93 CHRM2 (0.52) KDM4AKDM2ACHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL18986658 0.93 CHRM2 (0.52) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL25955482 0.90 KDM4A (0.68) KDM4AKDM2ACHRM2CHRM4CHRM5
SCHEMBL19001491 0.90 KDM4A (0.50) KDM4AKDM2ACHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL18986759 0.88 KDM4A (0.48) 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
WO-2017103038-A2 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A STYRYL OR NAPHTHYLAMIDE DIRECT DYE BEARING A HYDROXYALKYL FUNCTION, DYEING PROCESS AND DYE L'OREAL (FR) 2017-06-22 WO disclosed