SCHEMBL8536593

SCHEMBL8536593

Nc1cc(N)c(SCCO)cc1SCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
MAP2K7 O14733 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
TDP2 O95551 1/20 0.32
LMNA P02545 1/20 0.32
PLA2G1B P04054 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL29817890 0.79 CA2 (0.42) CA2SMN1; SMN2CA12CA1CA7
SCHEMBL1639198 0.79 CA2 (0.42) CA2SMN1; SMN2CA12CA1CA7
SCHEMBL8446957 0.79 CA2 (0.39) CA2SMN1; SMN2CA12CA1CA7
Hydrochloric Acid SCHEMBL4391736 0.77 CA2 (0.41) CA2SMN1; SMN2CA12CA1CA7
SCHEMBL8944131 0.77 CA2 (0.38) CA2SMN1; SMN2CA12CA1CA7
SCHEMBL12291641 0.76 SLC6A4 (0.42) CA2CA12CA1CA7CA13
SCHEMBL11097224 0.76 GAA (0.47) CA2SMN1; SMN2CA12CA1CA7
SCHEMBL8285547 0.76 NPC1 (0.50) CA2SMN1; SMN2CA1ALDH1A1NPC1
SCHEMBL8350043 0.74 CA2 (0.54) CA2ALDH1A1MAPTMEN1LMNA
SCHEMBL8621805 0.74 MEN1 (0.54) CA2SMN1; SMN2ALDH1A1MAPTKDM4E

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