SCHEMBL19649083

SCHEMBL19649083

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.50
▸ KMT2A Q03164 10/20 0.50
▸ RAB9A P51151 7/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ HTT P42858 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ KDM4A O75164 4/20 0.48
▸ KDM2A Q9Y2K7 4/20 0.48
▸ APOBEC3A P31941 2/20 0.46
▸ APOBEC3G Q9HC16 2/20 0.46
▸ GFER P55789 2/20 0.46
▸ LMNA P02545 4/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.33
▸ THRB P10828 3/20 0.33
▸ ALPG P10696 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ POLB P06746 3/20 0.32

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
SCHEMBL19649081 0.88 MEN1 (0.47) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL19649059 0.84 MEN1 (0.69) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL12657104 0.81 MEN1 (0.61) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL13645969 0.79 MEN1 (0.73) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL12657238 0.79 MEN1 (0.69) MEN1KMT2ARAB9ANPC1HTT
Hydrochloric Acid SCHEMBL3866923 0.78 MEN1 (0.71) MEN1KMT2ARAB9ANPC1HTT
Hydrochloric Acid SCHEMBL3866925 0.78 MEN1 (0.71) MEN1KMT2ARAB9ANPC1HTT
Hydrochloric Acid SCHEMBL3866926 0.78 MEN1 (0.71) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL19649211 0.78 KDM4A (0.50) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL12658259 0.78 KDM4A (0.47) MEN1KMT2ARAB9ANPC1HTT

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-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
Send feedback