SCHEMBL8034838

SCHEMBL8034838

CCn1nc(N)c(N)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TNNI3 P19429 1/20 0.43
CRHBP P24387 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
TNNT2 P45379 1/20 0.43
CASP7 P55210 1/20 0.43
TNNC1 P63316 1/20 0.43
ATM Q13315 1/20 0.43
CRHR2 Q13324 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL8025240 0.86 TSHR (0.46) L3MBTL1KMT2AMEN1CRHBPMAPK1
SCHEMBL8035051 0.84 MAPT (0.42) KMT2AKDM4EMEN1MAPK1ILK
SCHEMBL13858651 0.84 KDM4E (0.50) HTR2AHTR2CHTR2BL3MBTL1KMT2A
SCHEMBL8025291 0.83 NR1H3 (0.43) HTR2AHTR2BKMT2AMEN1USP2
SCHEMBL8035136 0.82 NPC1 (0.46) L3MBTL1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL8035242 0.81 SMN1; SMN2 (0.53) L3MBTL1KMT2AKDM4EMEN1MAPK1
SCHEMBL8038834 0.80 USP7 (0.43) KMT2AKDM4EMEN1HSD17B10ALDH1A1
SCHEMBL8034876 0.79 BACE1 (0.43) KMT2AKDM4ENR1H3NR1H2ALDH1A1
SCHEMBL8041072 0.78 IKBKB (0.45) KDM4EMAPK1TDP1TSHRHSD17B10
SCHEMBL8036929 0.77 ALDH1A1 (0.39) L3MBTL1KMT2AKDM4EMEN1ILK

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