SCHEMBL8036819

SCHEMBL8036819

CCc1c(N)c(N)nn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
GAA P10253 3/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.39
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
NPY1R P25929 1/20 0.39
STAT3 P40763 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL8034995 0.85 GAA (0.54) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL8025202 0.85 KDM4E (0.50) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL8034840 0.79 KDM4E (0.75) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL6442051 0.79 PTGDR2 (0.46) KDM4EPOLBSMN1; SMN2PTGDR2MAPK1
SCHEMBL8038821 0.75 KDM4E (0.51) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL8036845 0.75 KDM4E (0.51) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL8035242 0.75 SMN1; SMN2 (0.53) KDM4EGAAPOLBTSHRSMN1; SMN2
SCHEMBL8038828 0.74 ILK (0.32)
SCHEMBL23402702 0.72 PTGDR2 (0.51) KDM4EPOLBPTGDR2ALDH1A1
SCHEMBL23400411 0.72 KDM4E (0.51) KDM4EGAAPOLBTSHRSMN1; SMN2

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