SCHEMBL19003828

SCHEMBL19003828

OCCN(CCO)c1ccc(/C=C/c2cc[n+](CCO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
CHAT P28329 2/20 0.46
KDM4A O75164 4/20 0.44
KDM2A Q9Y2K7 4/20 0.44
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
INSR P06213 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38

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
Iodide SCHEMBL7034960 0.98 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7034965 0.98 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL18986924 0.98 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL18986923 0.98 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20329106 0.93 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7032402 0.91 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7032404 0.91 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL21980531 0.89 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL21980530 0.89 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1823100 0.89 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3

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
WO-2018115156-A1 PROCESS FOR DYEING KERATIN FIBRES USING AT LEAST ONE PARTICULAR TRIARYLMETHANE DYE AND AT LEAST ONE FLUORESCENT DYE L'OREAL (FR) 2018-06-28 WO disclosed
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