SCHEMBL8535790

SCHEMBL8535790

COc1cc(SC)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.42
PKM P14618 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
G6PD P11413 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41

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
SCHEMBL8837176 0.85 ALDH1A1 (0.42) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL23133333 0.85 TDP1 (0.42) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL6371711 0.85 ALDH1A1 (0.42) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL23133330 0.85 ALDH1A1 (0.43) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL26353037 0.83 MAPT (0.46) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL6370055 0.82 ALDH1A1 (0.57) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL8901563 0.81 PKM (0.48) ALDH1A1MAPTKDM4ELMNAPKM
SCHEMBL11135612 0.81 ALDH1A1 (0.58) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL10778338 0.80 ALDH1A1 (0.62) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL9160180 0.78 ALDH1A1 (0.56) ALDH1A1TDP1MAPTKDM4ECYP3A4

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-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