SCHEMBL8041014

SCHEMBL8041014

Nc1nn(Cc2ccc(Cl)cc2)c(-c2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
STAT3 P40763 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN1 Q05586 10/20 0.44
GRIN2B Q13224 10/20 0.44
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DPP4 P27487 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL8025282 0.90 GRIN1 (0.54) NR1H2NR1H3HTTL3MBTL1SMN1; SMN2
SCHEMBL8025162 0.81 SMN1; SMN2 (0.48) NR1H2NR1H3MEN1LMNAMAPT
SCHEMBL8041072 0.81 IKBKB (0.45) POLBMAOB
SCHEMBL8034988 0.81 SMN1; SMN2 (0.57) NR1H2NR1H3HTTMEN1LMNA
SCHEMBL8041058 0.79 TLR8 (0.47) GRIN1GRIN2BPOLBMAOB
SCHEMBL8041057 0.79 GAA (0.51) NR1H2NR1H3HTTMEN1LMNA
SCHEMBL8034801 0.79 SMN1; SMN2 (0.49) NR1H2NR1H3MEN1LMNAMAPT
SCHEMBL8041049 0.75 NR1H3 (0.54) NR1H2NR1H3HTTMEN1LMNA
SCHEMBL8035267 0.74 IKBKB (0.48) LMNAMAPTSMN1; SMN2
SCHEMBL8041029 0.73 SMN1; SMN2 (0.59) NR1H2NR1H3MEN1LMNAMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090162-A THE META-AMINOPHENOL IS HALOGENATED AT THE ORTHO POSITION OF THE PHENOL AS A COUPLER; DYEING USING THIS COMPOSITION WITH AN OXIDIZING AGENT; MULTICOMPARTMENT DYE KIT; USE AS HAIR DYE RESISTANT TO LIGHT, SHAMPOO, PERM TREATMENTS L'OREAL S.A. (FR) 2000-07-18 US claimed
EP-0919221-A1 Oxidative dyeing composition for keratinic fibres containing a substituted 3,4 diaminopyrazole-5 and a halogenated meta-aminophenol and dyeing process L'OREAL (FR) 1999-06-02 EP claimed
EP-0900206-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1999-03-10 EP claimed
WO-1997042173-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1997-11-13 WO claimed
US-6118008-A FIBER-REACTIVE DYE; HAIR DYE L'OREAL (FR) 2000-09-12 US disclosed
US-6090162-A THE META-AMINOPHENOL IS HALOGENATED AT THE ORTHO POSITION OF THE PHENOL AS A COUPLER; DYEING USING THIS COMPOSITION WITH AN OXIDIZING AGENT; MULTICOMPARTMENT DYE KIT; USE AS HAIR DYE RESISTANT TO LIGHT, SHAMPOO, PERM TREATMENTS L'OREAL S.A. (FR) 2000-07-18 US disclosed
EP-0900206-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1999-03-10 EP disclosed
WO-1997042173-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1997-11-13 WO disclosed