SCHEMBL8034982

SCHEMBL8034982

COc1ccc(-c2[nH]nc(N)c2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
MAPK10 P53779 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 3/20 0.51
DYRK1A Q13627 1/20 0.51
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
ILK Q13418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL4710473 0.84 SMN1; SMN2 (0.51) HTTMAPK10SMN1; SMN2KDM4EDYRK1A
SCHEMBL8036864 0.80 NR1H2 (0.51) SMN1; SMN2KDM4EDYRK1AKMT2AMAPT
SCHEMBL8025214 0.79 PIK3CD (0.54) HTTMAPK10SMN1; SMN2KDM4EKMT2A
SCHEMBL31237561 0.76 FYN (0.53) HTTMAPK10SMN1; SMN2KDM4EDYRK1A
SCHEMBL8025184 0.76 ABL1 (0.54) SMN1; SMN2KDM4EKMT2AMAPTRAB9A
SCHEMBL28849680 0.75 KDM4E (0.51) HTTMAPK10SMN1; SMN2KDM4EDYRK1A
SCHEMBL13312276 0.75 IKBKB (0.67) KDM4EDYRK1AKMT2AGAAILK
SCHEMBL2949076 0.75 KDM4E (0.68) SMN1; SMN2KDM4EKMT2AMAPTRAB9A
SCHEMBL8075999 0.72 SMN1; SMN2 (0.49) HTTMAPK10SMN1; SMN2KDM4EKMT2A
SCHEMBL5201367 0.71 KMT2A (0.54) HTTSMN1; SMN2KDM4EDYRK1AKMT2A

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