SCHEMBL19649059

SCHEMBL19649059

CN(C)c1ccc(/C=C/c2cccc[n+]2CSS)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.69
▸ KMT2A Q03164 10/20 0.69
▸ RAB9A P51151 8/20 0.69
▸ NPC1 O15118 6/20 0.69
▸ MAPT P10636 5/20 0.69
▸ HTT P42858 5/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ STAT3 P40763 1/20 0.69
▸ KDM4A O75164 4/20 0.62
▸ KDM2A Q9Y2K7 4/20 0.62
▸ GFER P55789 3/20 0.62
▸ APOBEC3A P31941 3/20 0.62
▸ APOBEC3G Q9HC16 3/20 0.62
▸ RELA Q04206 1/20 0.49
▸ LMNA P02545 4/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ THRB P10828 3/20 0.48
▸ ALPG P10696 1/20 0.48
▸ POLB P06746 3/20 0.44

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
SCHEMBL19649083 0.84 MEN1 (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3385183 0.83 MEN1 (0.97) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3870022 0.83 MEN1 (0.97) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5142533 0.82 MEN1 (0.71) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5142532 0.82 MEN1 (0.71) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL19649160 0.82 MEN1 (0.63) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL19649257 0.82 RAB9A (0.45) MEN1KMT2ARAB9ANPC1MAPT
Iodide SCHEMBL285057 0.82 MEN1 (1.00) MEN1KMT2ARAB9ANPC1MAPT
Iodide SCHEMBL29837406 0.82 MEN1 (1.00) MEN1KMT2ARAB9ANPC1MAPT
Iodide SCHEMBL285058 0.82 MEN1 (1.00) 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 2 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
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