SCHEMBL8036864

SCHEMBL8036864

COc1cccc(-c2[nH]nc(N)c2N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
NOTUM Q6P988 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47
DYRK1A Q13627 2/20 0.46
DYRK1B Q9Y463 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAP4K4 O95819 1/20 0.46
GAA P10253 1/20 0.46
BTK Q06187 1/20 0.46
TDO2 P48775 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PIK3CG P48736 1/20 0.45

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
SCHEMBL8034982 0.80 HTT (0.56) KDM4EKMT2ADYRK1ADYRK1BGAA
SCHEMBL8035063 0.79 PIK3CD (0.58) NOTUMKDM4EKMT2AMAP4K4GAA
SCHEMBL1016030 0.77 MAPK14 (0.53) NR1H2NR1H3KDM4EKMT2ACYP3A4
SCHEMBL28960378 0.76 PIK3CG (0.56) NR1H2NR1H3DCUN1D1DYRK1ADYRK1B
SCHEMBL4700185 0.74 TDO2 (0.55) NR1H2NR1H3NOTUMKDM4EKMT2A
SCHEMBL16200082 0.74 ADORA2A (0.47) NR1H2NR1H3NOTUMDCUN1D1KDM4E
SCHEMBL2949076 0.74 KDM4E (0.68) KDM4EKMT2ADYRK1BCLK4MAP4K4
SCHEMBL1855459 0.73 MAPT (0.59) NR1H2NR1H3NOTUMDCUN1D1KDM4E
SCHEMBL17397952 0.73 DYRK1A (0.69) NR1H2NR1H3NOTUMDCUN1D1KDM4E
SCHEMBL3975246 0.72 NR1H2 (0.67) NR1H2NR1H3NOTUMDCUN1D1DYRK1A

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 9 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-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 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