SCHEMBL8038673

SCHEMBL8038673

Cc1cccc(-c2c(N)c(N)nn2Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
GAA P10253 3/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
LMNA P02545 2/20 0.44
NR1H3 Q13133 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
DPP4 P27487 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 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
SCHEMBL8025162 0.90 SMN1; SMN2 (0.48) TP53GAAPOLBKDM4ESMN1; SMN2
SCHEMBL8035242 0.85 SMN1; SMN2 (0.53) GAAPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8025183 0.85 KDM4E (0.51) TP53GAAPOLBKDM4ESMN1; SMN2
SCHEMBL8035007 0.83 NR1H2 (0.58) GAASMN1; SMN2ALDH1A1PKMLMNA
SCHEMBL8035136 0.83 NPC1 (0.46) TP53POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL8038688 0.81 TLR8 (0.43) TP53KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL8025282 0.81 GRIN1 (0.54) POLBSMN1; SMN2NR1H3CYP1A2CYP3A4
SCHEMBL8034988 0.77 SMN1; SMN2 (0.57) GAAPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8041049 0.77 NR1H3 (0.54) GAAPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5739917 0.77 KDM4E (0.69) GAAPOLBKDM4ESMN1; SMN2ALDH1A1

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