SCHEMBL8038804

SCHEMBL8038804

CCCn1nc(N)c(N)c1-c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
TLR8 Q9NR97 1/20 0.38
NPC1 O15118 2/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
ALDH1A1 P00352 3/20 0.36
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 3/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL8035051 0.87 MAPT (0.42) GAANPC1HEXAHEXBAURKA
SCHEMBL8041065 0.86 ALDH1A1 (0.48) GAATLR8NPC1HEXAHEXB
SCHEMBL8025240 0.85 TSHR (0.46) TLR8ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8025272 0.83 ALDH1A1 (0.43) GAATLR8HEXAHEXBALDH1A1
SCHEMBL8038688 0.82 TLR8 (0.43) TLR8NPC1HEXAHEXBALDH1A1
SCHEMBL8034992 0.78 KDR (0.39) NPC1ALDH1A1AURKAKDRAURKB
SCHEMBL8025183 0.77 KDM4E (0.51) GAANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL8041029 0.76 SMN1; SMN2 (0.59) GAANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23400505 0.75 ADORA2A (0.41) GAANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL23400206 0.74 ESR1 (0.48) GAAALDH1A1SMN1; SMN2MEN1KMT2A

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