SCHEMBL18774362

SCHEMBL18774362

CC/N=C/C=C\C=C\C=C\c1ccc(N(CC)CCSSCCN(CC)c2ccc(/C=C/c3cccc[n+]3CC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
STAT3 P40763 1/20 0.50
KDM4A O75164 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
GFER P55789 2/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34

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
SCHEMBL16070375 0.91 KMT2A (0.47) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL19649306 0.89 MEN1 (0.47) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL10104070 0.88 MEN1 (0.63) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL19649339 0.85 MEN1 (0.40) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL17733963 0.85 KDM4A (0.41) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL17733968 0.85 MEN1 (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL19903912 0.81 APP (0.36) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL19648991 0.80 MEN1 (0.45) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL10104073 0.78 KDM4A (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL10104082 0.78 KMT2A (0.58) MEN1KMT2ARAB9ANPC1MAPT

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 3 patents. 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
EP-2677996-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-11-29 EP disclosed
EP-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 EP disclosed