SCHEMBL8536715

SCHEMBL8536715

CCc1c(N)ccc(SC)c1N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL7060663 0.77 NOS3 (0.37) MEN1KMT2ANOS3NOS2ALDH1A1
SCHEMBL11127368 0.76 DHFR (0.40) ALDH1A1MAPT
SCHEMBL6911166 0.76 NOS3 (0.30) NOS3NOS2
SCHEMBL30117633 0.74 NOS3 (0.41) NPC1MEN1KMT2AAPOBEC3GNOS3
SCHEMBL215981 0.74 NOS3 (0.41) NPC1MEN1KMT2AAPOBEC3GNOS3
Hydrochloric Acid SCHEMBL9640854 0.71 NOS3 (0.39) NPC1MEN1KMT2AAPOBEC3GNOS3
Hydrochloric Acid SCHEMBL4662390 0.71 NOS3 (0.39) NPC1MEN1KMT2AAPOBEC3GNOS3
SCHEMBL459542 0.71 POLB (0.38) NOS3NOS2ALDH1A1POLBMAPT
SCHEMBL29430589 0.71 POLB (0.38) NOS3NOS2ALDH1A1POLBMAPT
SCHEMBL30324471 0.71 NOS3 (0.42) MEN1KMT2ANOS3NOS2ALDH1A1

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