SCHEMBL8534792

SCHEMBL8534792

CSc1cc(C)c(N)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP7 P55210 1/20 0.44
HIF1A Q16665 1/20 0.44
TERT O14746 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
CASP1 P29466 1/20 0.37
UHRF1 Q96T88 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL8447923 0.92 CYP3A4 (0.57) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL8535525 0.84 PTK2 (0.41) CYP3A4TSHRMAPK1NPC1RAB9A
SCHEMBL28716249 0.84 NPC1 (0.41) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL22568390 0.79 CD44 (0.48) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL10391132 0.78 NPC1 (0.38) CYP3A4TSHRMAPK1NPC1RAB9A
SCHEMBL17498332 0.77 CYP3A4 (0.57) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL14383996 0.76 ALDH1A1 (0.36) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL6847333 0.75 ALDH1A1 (0.45) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL439013 0.74 CYP3A4 (0.80) CYP3A4TSHRMAPK1ALDH1A1HSD17B10
SCHEMBL16182536 0.72 CYP3A4 (0.57) CYP3A4TSHRMAPK1ALDH1A1HSD17B10

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 18 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
JP-1210417-A None JP disclosed
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
EP-0193872-B1 DI(ALKYLTHIO) DIAMINE CHAIN EXTENDERS FOR POLYURETHANE ELASTOMERS ETHYL CORPORATION (US) 1993-03-31 EP disclosed
EP-0228190-B1 RIM POLYURETHANES COMPRISING MIXED DIAMINE CHAIN EXTENDERS AND PROCESS AND COMPOSITION FOR THEIR PRODUCTION ETHYL CORPORATION (US) 1991-02-27 EP disclosed
JP-H01210417-A PREPARATION OF MOLDED ITEM OF ELASTIC ELASTOMER MITSUI TOATSU CHEM INC 1989-08-24 JP disclosed
EP-0289870-A2 Epoxy resin compositions ETHYL CORPORATION (US) 1988-11-09 EP disclosed
EP-0169101-B1 PROCESS FOR PREPARING (HYDROCARBYLTHIO)CYCLIC AMINES ETHYL CORPORATION (US) 1988-08-24 EP disclosed
US-4760188-A Substituted diaminotoluene ETHYL CORPORATION (US) 1988-07-26 US disclosed
US-4757119-A Diamine curing agent ETHYL CORPORATION (US) 1988-07-12 US disclosed
EP-0228190-A2 RIM polyurethanes comprising mixed diamine chain extenders and process and composition for their production ETHYL CORPORATION (US) 1987-07-08 EP disclosed
US-4631298-A REACTION INJECTION MOLDING POLYURETHANES ETHYL CORPORATION (US) 1986-12-23 US disclosed
US-4595742-A Formed by reacting polyisocyanate, an organic active hydrogen group containing compound, and a chain extender comprising an aromatic diamine ETHYL CORPORATION (US) 1986-06-17 US disclosed
US-4594453-A Reacting hydrocarbyl disulfide with aromatic amine ETHYL CORPORATION (US) 1986-06-10 US disclosed
EP-0169101-A1 Process for preparing (hydrocarbylthio)cyclic amines ETHYL CORPORATION (US) 1986-01-22 EP disclosed