SCHEMBL8035136

SCHEMBL8035136

CCn1nc(N)c(N)c1-c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HEXA P06865 1/20 0.43
HEXB P07686 1/20 0.43
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TLR8 Q9NR97 1/20 0.39
DPP4 P27487 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MAP4K4 O95819 2/20 0.38
SRC P12931 3/20 0.38
ABL1 P00519 2/20 0.38
CHEK1 O14757 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL8038688 0.88 TLR8 (0.43) NPC1L3MBTL1HEXAHEXBRAB9A
SCHEMBL8038673 0.83 TP53 (0.50) NPC1L3MBTL1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8034838 0.82 HTR2A (0.48) L3MBTL1HEXAHEXBALDH1A1SMN1; SMN2
SCHEMBL8034876 0.81 BACE1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2TLR8
SCHEMBL8025162 0.81 SMN1; SMN2 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2DPP4
SCHEMBL8035051 0.81 MAPT (0.42) NPC1HEXAHEXBRAB9ASMN1; SMN2
SCHEMBL8041072 0.80 IKBKB (0.45) ALDH1A1TLR8ABL1POLBHPGD
SCHEMBL8038820 0.80 RAB9A (0.45) NPC1L3MBTL1HEXAHEXBRAB9A
SCHEMBL23399049 0.77 NPC1 (0.53) NPC1L3MBTL1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8034824 0.76 SRC (0.51) NPC1L3MBTL1HEXAHEXBRAB9A

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