SCHEMBL4067666

SCHEMBL4067666

C#Cc1cccc[n+]1C.c1cc2ccc1-2

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.88
KCNH2 Q12809 3/20 0.39
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
SLC6A4 P31645 1/20 0.37
ACHE P22303 2/20 0.33
TSHR P16473 1/20 0.33
HRH1 P35367 1/20 0.33
PDE4D Q08499 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3528166 0.94
Iodide SCHEMBL3260442 0.85 HDAC8 (0.75) HDAC8KCNH2SLC22A2SLC22A1SLC22A3
SCHEMBL8988114 0.71 HDAC8 (1.00) HDAC8KCNH2ACHETSHRHRH1
SCHEMBL862249 0.71
SCHEMBL4072516 0.71 KCNH2 (0.64) HDAC8KCNH2KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL5833068 0.70 HDAC8 (0.95) HDAC8KCNH2ACHETSHRHRH1
Iodide SCHEMBL30133746 0.70 HDAC8 (0.95) HDAC8ACHETSHRHRH1PDE4D
SCHEMBL28990980 0.67
SCHEMBL8241353 0.62
SCHEMBL3719754 0.61 HDAC8 (0.55) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997475-A2 Composition comprising at least one substituted derivative of acetylenic carbocyanine, method of treating keratinous fibres implementing it and device L'Oréal (FR) 2008-12-03 EP claimed
EP-2018848-B1 Hair composition comprising at least one fluorescent dye and at least one alkali hydroxide agent and method of simultaneous styling, dyeing and/or lightening. OREAL (FR) 2013-01-09 EP disclosed
EP-2018848-A2 Hair composition comprising at least one fluorescent dye and at least one alkali hydroxide agent and method of simultaneous styling, dyeing and/or lightening. L'Oreal (FR) 2009-01-28 EP disclosed
EP-1997475-A2 Composition comprising at least one substituted derivative of acetylenic carbocyanine, method of treating keratinous fibres implementing it and device L'Oréal (FR) 2008-12-03 EP disclosed