SCHEMBL13839743

SCHEMBL13839743

CN(CCSSCCN(C)c1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1)c1ccc(/C=C/c2nc3ccccc3n2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.47
▸ NPC1 O15118 9/20 0.47
▸ RAB9A P51151 9/20 0.47
▸ ALDH1A1 P00352 8/20 0.47
▸ MAPT P10636 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ PKM P14618 3/20 0.47
▸ SMN1; SMN2 Q16637 9/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ RCE1 Q9Y256 1/20 0.45
▸ ATP4A P20648 1/20 0.44
▸ ATP4B P51164 1/20 0.44
▸ MEN1 O00255 5/20 0.38
▸ RXFP1 Q9HBX9 3/20 0.38
▸ GAA P10253 6/20 0.37
▸ GLA P06280 5/20 0.37

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
SCHEMBL3834682 0.89 RAB9A (0.40) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL3834687 0.89 RAB9A (0.40) KDM4ENPC1RAB9AALDH1A1MAPT
Sulfuric Acid Dimethyl Ester SCHEMBL3837602 0.82 MEN1 (0.41) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL3838342 0.79 MEN1 (0.39) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL3838343 0.79 MEN1 (0.39) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL3837492 0.78 RAB9A (0.41) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL13294096 0.78 MEN1 (0.42) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL3835590 0.78 RAB9A (0.41) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL3291880 0.77 MEN1 (0.41) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL3291882 0.77 KMT2A (0.46) KDM4ENPC1RAB9AALDH1A1MAPT

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-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
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