SCHEMBL13839754

SCHEMBL13839754

CC[n+]1c(/C=C/c2ccc(N(C)CCSSCCN(C)c3ccc(/C=C/c4nc5ccccc5o4)cc3)cc2)oc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 14/20 0.44
▸ ATP4B P51164 14/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SNCA P37840 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
SCHEMBL13294190 0.90 KMT2A (0.49) MEN1KMT2AKDM4EALDH1A1LMNA
Iodide SCHEMBL3292999 0.89 KMT2A (0.51) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL13294082 0.77 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1LMNA
Iodide SCHEMBL8745039 0.75 KMT2A (0.57) MEN1KMT2AKDM4EALDH1A1LMNA
Iodide SCHEMBL8745042 0.75 KMT2A (0.57) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL476616 0.71 MEN1 (0.59) ATP4AATP4BMEN1KMT2AKDM4E
SCHEMBL29397958 0.71 MEN1 (0.59) ATP4AATP4BMEN1KMT2AKDM4E
SCHEMBL476617 0.71 MEN1 (0.59) ATP4AATP4BMEN1KMT2AKDM4E
SCHEMBL2494947 0.70 ATP4A (0.61) ATP4AATP4BMEN1KMT2AKDM4E
SCHEMBL29521633 0.70 ATP4A (0.61) ATP4AATP4BMEN1KMT2AKDM4E

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-2053094-B1 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition OREAL (FR) 2014-03-26 — — EP disclosed
EP-2062945-A2 Hemicyanin styryl thiol/disulfide dye, dye composition comprising this dye, process for lightening keratin materials using this dye L'Oréal (FR) 2009-05-27 — — EP disclosed
EP-2053094-A2 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition L'Oréal (FR) 2009-04-29 — — EP disclosed
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