SCHEMBL8034801

SCHEMBL8034801

COc1cccc(-c2c(N)c(N)nn2Cc2ccc(Cl)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
STAT3 P40763 1/20 0.44
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
DYRK1B Q9Y463 1/20 0.44
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
MCTS1 Q9ULC4 1/20 0.43
WNK1 Q9H4A3 1/20 0.42

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
SCHEMBL8035007 0.90 NR1H2 (0.58) SMN1; SMN2ALDH1A1LMNANR1H2NR1H3
SCHEMBL8034805 0.85 TP53 (0.47) SMN1; SMN2TP53RAB9AMAPTKMT2A
SCHEMBL8025162 0.84 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1LMNATP53
SCHEMBL8034876 0.82 BACE1 (0.43) SMN1; SMN2KDM4EALDH1A1RAB9ANR1H2
SCHEMBL8034988 0.81 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EALDH1A1LMNARAB9A
SCHEMBL8036883 0.80 TLR8 (0.46) KDM4ENR1H2NR1H3KMT2ADYRK1A
SCHEMBL8041057 0.79 GAA (0.51) SMN1; SMN2ALDH1A1LMNARAB9ANR1H2
SCHEMBL8041014 0.79 NR1H2 (0.49) SMN1; SMN2LMNARAB9ANR1H2NR1H3
SCHEMBL8035070 0.76 CYP1A2 (0.60) SMN1; SMN2KDM4EALDH1A1LMNATP53
SCHEMBL8041029 0.76 SMN1; SMN2 (0.59) SMN1; SMN2LMNATP53RAB9ANR1H2

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