SCHEMBL8536599

SCHEMBL8536599

COc1cc(SC)c(N)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
POLB P06746 1/20 0.56
GAA P10253 3/20 0.48
ALDH1A1 P00352 8/20 0.47
TDP1 Q9NUW8 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 3/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
S100B P04271 1/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 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
Hydrochloric Acid SCHEMBL9009886 0.98 L3MBTL1 (0.54) L3MBTL1POLBGAAALDH1A1TDP1
SCHEMBL11557943 0.91 L3MBTL1 (0.50) L3MBTL1POLBGAAALDH1A1TDP1
SCHEMBL5651191 0.89 ALDH1A1 (0.54) L3MBTL1POLBGAAALDH1A1TDP1
SCHEMBL11297214 0.85 L3MBTL1 (0.50) L3MBTL1POLBGAAALDH1A1TDP1
SCHEMBL8837252 0.84 L3MBTL1 (0.44) L3MBTL1POLBGAAALDH1A1TDP1
SCHEMBL6371307 0.84 GAA (0.68) L3MBTL1POLBGAAALDH1A1TDP1
Hydrochloric Acid SCHEMBL8837273 0.82 ALDH1A1 (0.43) L3MBTL1POLBGAAALDH1A1TDP1
SCHEMBL8535525 0.80 PTK2 (0.41) L3MBTL1POLBMAPK1CYP3A4TSHR
SCHEMBL453951 0.80 GAA (0.68) L3MBTL1POLBGAAALDH1A1TDP1
SCHEMBL28716249 0.80 NPC1 (0.41) L3MBTL1POLBGAAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591059-B1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines OREAL (FR) 1998-04-15 EP claimed
EP-0591059-A1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines L'OREAL (FR) 1994-04-06 EP claimed
EP-0591059-B1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines OREAL (FR) 1998-04-15 EP disclosed
US-5534036-A Keratinous fiber dyeing methods and compositions which contain sulfated methaphenylenediamine couplers in combination with oxidation dye precursors L'OREAL (FR) 1996-07-09 US disclosed
EP-0591059-A1 Use of sulfur-containing metaphenylenediamines for dyeing keratinic fibers and new sulfur-containing metaphenylenediamines L'OREAL (FR) 1994-04-06 EP disclosed