SCHEMBL7719099

SCHEMBL7719099

NC1=NN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.62
ALOX5 P09917 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
ADRB1 P08588 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NOTUM Q6P988 3/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PHGDH O43175 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 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
SCHEMBL11371307 0.83 ABL1 (0.70) ABL1ALOX5PTGS1PTGS2NOTUM
SCHEMBL907934 0.82 ABL1 (0.64) ABL1ALOX5PTGS1PTGS2ADRB1
SCHEMBL908024 0.81 ABL1 (0.67) ABL1ALOX5PTGS1PTGS2ADRB1
SCHEMBL11376464 0.77 ABL1 (0.53) ABL1ALOX5PTGS1PTGS2MAPT
SCHEMBL1357063 0.77 ABL1 (1.00) ABL1ALOX5PTGS1PTGS2ADRB1
SCHEMBL11380671 0.76 ABL1 (0.51) ABL1ALOX5PTGS1PTGS2MAPT
SCHEMBL7719898 0.75 ABL1 (0.79) ABL1ALOX5PTGS1PTGS2CYP3A4
Hydrochloric Acid SCHEMBL11089748 0.75 ABL1 (0.97) ABL1ALOX5PTGS1PTGS2ADRB1
SCHEMBL7719911 0.74 ABL1 (0.77) ABL1ALOX5PTGS1PTGS2CYP3A4
SCHEMBL2268832 0.72 ABL1 (0.61) ABL1ALOX5PTGS1PTGS2TP53

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 12 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-4451479-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1984-05-29 US claimed
EP-0022578-A1 Pharmaceutical compositions containing 3-Amino-pyrazoline derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-21 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-4556671-A Pharmaceutical formulations BURROUGHS WELLCOME CO. (US) 1985-12-03 US disclosed
US-4451479-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1984-05-29 US 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
EP-0022578-A1 Pharmaceutical compositions containing 3-Amino-pyrazoline derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-21 EP disclosed