SCHEMBL8036883

SCHEMBL8036883

CCCn1nc(N)c(N)c1-c1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
BACE1 P56817 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.41
DPP4 P27487 1/20 0.41
ADORA2A P29274 2/20 0.40
DCTPP1 Q9H773 2/20 0.40
MAP4K4 O95819 1/20 0.40
ADORA1 P30542 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
DRD2 P14416 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDO2 P48775 1/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 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
SCHEMBL8034876 0.89 BACE1 (0.43) TLR8BACE1KDM4EKMT2ADPP4
SCHEMBL8025272 0.83 ALDH1A1 (0.43) TLR8KDM4EKMT2A
SCHEMBL8038688 0.82 TLR8 (0.43) TLR8KDM4EKMT2ADPP4MAP4K4
SCHEMBL8035007 0.82 NR1H2 (0.58) BACE1KMT2ADPP4ADORA2AADORA1
SCHEMBL8025270 0.82 ADORA2A (0.48) TLR8BACE1KDM4EKMT2ABRD4
SCHEMBL8034801 0.80 SMN1; SMN2 (0.49) KDM4EKMT2ADPP4NR1H2NR1H3
SCHEMBL8041058 0.78 TLR8 (0.47) TLR8KDM4EBRD4ADORA2AADORA1
SCHEMBL8374724 0.77 MAPT (0.47) TLR8BACE1KDM4EKMT2ADCTPP1
SCHEMBL8036911 0.76 ABL1 (0.55) BACE1KDM4EKMT2ABRD4DPP4
SCHEMBL8034793 0.73 TLR8 (0.43) TLR8KDM4EKMT2ADPP4ADORA2A

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 7 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
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