SCHEMBL8034876

SCHEMBL8034876

CCn1nc(N)c(N)c1-c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.43
TLR8 Q9NR97 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.42
ADORA2A P29274 2/20 0.42
MAP4K4 O95819 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ADORA1 P30542 1/20 0.42
TDO2 P48775 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CD O00329 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL8036883 0.89 TLR8 (0.46) BACE1TLR8KDM4EKMT2ADPP4
SCHEMBL8035007 0.84 NR1H2 (0.58) BACE1KMT2ADPP4ADORA2AADORA1
SCHEMBL8038834 0.82 USP7 (0.43) TLR8KDM4EKMT2ARAB9AALDH1A1
SCHEMBL8034801 0.82 SMN1; SMN2 (0.49) KDM4EKMT2ADPP4DYRK1ACLK4
SCHEMBL8035136 0.81 NPC1 (0.46) TLR8KMT2ADPP4MAP4K4DYRK1A
SCHEMBL8025270 0.81 ADORA2A (0.48) BACE1TLR8KDM4EKMT2ADPP4
SCHEMBL8034838 0.79 HTR2A (0.48) KDM4EKMT2AADORA2AADORA1NR1H2
SCHEMBL8036911 0.78 ABL1 (0.55) BACE1KDM4EKMT2ADPP4ADORA2A
SCHEMBL8041072 0.77 IKBKB (0.45) TLR8KDM4EADORA2AADORA1ABL1
SCHEMBL2826787 0.72 HDAC1 (0.48) BACE1TLR8KDM4EKMT2AADORA2A

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
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