SCHEMBL8036852

SCHEMBL8036852

COc1ccccc1-c1c(N)c(N)nn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
ADORA2A P29274 3/20 0.47
JAK2 O60674 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
ADORA1 P30542 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
HSP90AA1 P07900 2/20 0.41
DPP4 P27487 2/20 0.41
BRD4 O60885 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL8025164 0.81 ABL1 (0.45) ALDH1A1ADORA2AJAK2KDM4EGAA
SCHEMBL8034793 0.81 TLR8 (0.43) ALDH1A1ADORA2AJAK2KDM4EGAA
SCHEMBL8036854 0.80 JAK2 (0.42) ALDH1A1ADORA2AJAK2KDM4EGAA
SCHEMBL8036870 0.77 HSD11B1 (0.44) ALDH1A1KDM4ELMNAHSD17B10SMN1; SMN2
SCHEMBL8041055 0.74 LMNA (0.47) ALDH1A1KDM4EGAALMNAHSD17B10
SCHEMBL1915129 0.72 HSP90AA1 (0.53) ALDH1A1ADORA2AJAK2KDM4EGAA
SCHEMBL8041064 0.72 GSK3B (0.46) ALDH1A1KDM4ELMNAADORA1HSD17B10
SCHEMBL8041052 0.70 USP7 (0.47) ALDH1A1ADORA2AKDM4ELMNASMN1; SMN2
SCHEMBL8025270 0.69 ADORA2A (0.48) ALDH1A1ADORA2AKDM4EADORA1HPGD
SCHEMBL31607623 0.68 ALDH1A1 (0.52) ALDH1A1JAK2KDM4EGAALMNA

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