SCHEMBL8535149

SCHEMBL8535149

CCCSc1cc(Cl)c(N)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.33
PGK1 P00558 1/20 0.33
CYP3A4 P08684 2/20 0.31
THRB P10828 1/20 0.31
TLR8 Q9NR97 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 2/20 0.30
TP53 P04637 1/20 0.30
CD44 P16070 1/20 0.30
PTGS2 P35354 1/20 0.30
MEN1 O00255 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL11410097 0.92 GAA (0.46) KMT2AGAANPC1MAPTPGK1
SCHEMBL11407972 0.74 SLC6A4 (0.47) KMT2AMAPTCYP3A4ALDH1A1LMNA
SCHEMBL15358114 0.74 GAA (0.40) KMT2AGAANPC1CYP3A4THRB
SCHEMBL8601382 0.73 KMT2A (0.39) KMT2ANPC1MAPTTHRBTP53
SCHEMBL10415660 0.72 GAA (0.50) GAANPC1PGK1CYP3A4THRB
SCHEMBL11638886 0.72 AR (0.41) GAANPC1MAPTALDH1A1HPGD
SCHEMBL11409408 0.71 KMT2A (0.42) KMT2AGAANPC1MAPTTLR8
SCHEMBL5366038 0.69 KMT2A (0.42) KMT2ATHRBTLR8ALDH1A1LMNA
SCHEMBL16279674 0.69 PTGS2 (0.39) KMT2AMAPTTLR8ALDH1A1HPGD
SCHEMBL11803179 0.68 CA2 (0.53) KMT2AALDH1A1CA12CA1CA2

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