SCHEMBL7718650

SCHEMBL7718650

COc1ccc(N2CCC(N)=N2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.53
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 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
SCHEMBL11379998 0.86 ABL1 (0.53) ABL1ALOX5PTGS1PTGS2POLB
SCHEMBL7719917 0.82 ABL1 (0.49) ABL1ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL7719890 0.82 ALOX5 (0.58) ABL1ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL7714604 0.80 ABL1 (0.57) ABL1ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL2268832 0.80 ABL1 (0.61) ABL1ALOX5PTGS1PTGS2POLB
SCHEMBL7717966 0.79 ABL1 (0.56) ABL1ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL7718654 0.77 ABL1 (0.57) ABL1ALOX5PTGS1PTGS2MAPT
SCHEMBL2271194 0.77 ABL1 (0.57) ABL1ALOX5PTGS1PTGS2POLB
SCHEMBL7529208 0.76 ABL1 (0.53) ABL1ALOX5PTGS1PTGS2MAPT
SCHEMBL7719319 0.76 ABL1 (0.53) ABL1ALOX5PTGS1PTGS2ALDH1A1

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 8 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-4677210-A 1-arylalkoxy- and 1-arylalkylthioaryl-2-pyrazolines as anti-inflammatory or anti-allergic agents RORER PHARMACEUTICAL CORPORATION (US) 1987-06-30 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