SCHEMBL7714570

SCHEMBL7714570

NC1=NN(c2ccccc2Br)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MGLL Q99685 1/20 0.35
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DNMT1 P26358 1/20 0.32
RAD52 P43351 1/20 0.32
UHRF1 Q96T88 1/20 0.32
KEAP1 Q14145 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL11371045 0.86 ALOX5 (0.43) ABL1ALOX5PTGS1PTGS2
SCHEMBL11376579 0.80 ALOX5 (0.46) ABL1ALOX5PTGS1PTGS2MAPK1
SCHEMBL11368443 0.79 ABL1 (0.44) ABL1ALOX5PTGS1PTGS2ROCK1
SCHEMBL11380677 0.79 ABL1 (0.44) ABL1ALOX5PTGS1PTGS2ROCK1
SCHEMBL907698 0.79 ALOX5 (0.45) ABL1ALOX5PTGS1PTGS2MGLL
SCHEMBL11189086 0.79 ABL1 (0.42) ABL1ALOX5PTGS1PTGS2MGLL
SCHEMBL908400 0.79 ABL1 (0.54) ABL1ALOX5PTGS1PTGS2MGLL
SCHEMBL7719105 0.79 DDB1 (0.42) ABL1ALOX5PTGS1PTGS2MAPT
SCHEMBL11384175 0.76 ABL1 (0.44) ABL1ALOX5PTGS1PTGS2
SCHEMBL7721915 0.75 DRD2 (0.46) PTGS1MGLLKDM4ENPC1MAPT

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-6387136-B1 OXIDATION COLOR DYES AND COUPLER L'OREAL S.A. (FR) 2002-05-14 US claimed
EP-0974337-B1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit OREAL (FR) 2001-03-21 EP claimed
EP-0974337-A1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit L'OREAL (FR) 2000-01-26 EP claimed
US-6387136-B1 OXIDATION COLOR DYES AND COUPLER L'OREAL S.A. (FR) 2002-05-14 US disclosed
EP-0974337-B1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit OREAL (FR) 2001-03-21 EP disclosed
EP-0974337-A1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit L'OREAL (FR) 2000-01-26 EP disclosed
US-4268436-A OXIDATIVE DIAZOTIZATION WITH NITROSYLSULFURIC ACID, ALKALINE METAL NITRITES, OR ALKYL NITRITES AZIENDE COLORI NAZIONALI AFFINI ACNA S.P.A. (IT) 1981-05-19 US disclosed