SCHEMBL15624281

SCHEMBL15624281

C(=C/c1cc2c3c(c1)CCCN3CCC2)\c1cc[n+](CCSc2ccccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 7/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31

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
SCHEMBL10104165 0.81 KMT2A (0.39) L3MBTL1TDP1ALDH1A1MAPTKMT2A
SCHEMBL13695032 0.80 RAD52 (0.32) KMT2ARAD52RXFP1
SCHEMBL14392935 0.75 KMT2A (0.40) L3MBTL1TDP1ALDH1A1MAPTKMT2A
SCHEMBL15460029 0.75 KMT2A (0.36) L3MBTL1TDP1ALDH1A1MAPTKMT2A
SCHEMBL10104215 0.75 KMT2A (0.36) L3MBTL1TDP1ALDH1A1MAPTKMT2A
SCHEMBL14398302 0.75 RAB9A (0.46) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL18102250 0.73 KDM4A (0.42) RAB9ANPC1L3MBTL1TDP1ALDH1A1
SCHEMBL14392881 0.71 KMT2A (0.37) L3MBTL1TDP1ALDH1A1MAPTKMT2A
SCHEMBL13989158 0.70 KMT2A (0.49) L3MBTL1TDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL21005807 0.70 RAD52 (0.30) KMT2ARAD52RXFP1

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-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
EP-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 — — EP disclosed
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
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