SCHEMBL6231688

SCHEMBL6231688

N#Cc1ccc(CN(N)C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
CYP2A6 P11509 1/20 0.45
NSD2 O96028 2/20 0.42
SNCA P37840 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
IDO1 P14902 2/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
SAE1 Q9UBE0 1/20 0.39

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
SCHEMBL28522349 0.79 CYP2A6 (0.48) LOXL2CYP2A6NSD2SNCACRHBP
SCHEMBL8525708 0.76 AOC3 (0.30)
SCHEMBL1669089 0.76 LOXL2 (0.43) LOXL2NSD2IDO1
SCHEMBL2240175 0.73 LOXL2 (0.54) LOXL2CYP2A6IDO1CYP11B1CYP11B2
SCHEMBL5992333 0.72 LOXL2 (0.54) LOXL2CYP2A6NSD2CRHBPCRHR2
SCHEMBL6232804 0.72 TAAR1 (0.46) IDO1MEN1KMT2A
SCHEMBL10788193 0.71 LOXL2 (0.52) LOXL2CYP2A6NSD2SNCACRHBP
SCHEMBL156261 0.71 CYP2A6 (0.58) LOXL2CYP2A6NSD2CRHBPCRHR2
SCHEMBL7401773 0.71 HTT (0.51) LOXL2CYP2A6NSD2SNCACRHBP
SCHEMBL7464731 0.71 SNCA (0.58) LOXL2CYP2A6NSD2SNCACRHBP

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004582-B1 Pyridazino quinoline compounds ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-0790996-B1 PYRIDAZINOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-03-27 EP disclosed
US-6232313-B1 TREATING STROKE OR EPILEPTIC CONVULSIONS ASSOCIATED WITH EXCESSIVE CALCIUM INFLUX IN THE BRAIN CAUSED BY EXCITATORY AMINO ACIDS ZENECA LIMITED (GB) 2001-05-15 US disclosed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 EP disclosed
EP-1004582-A2 Pyridazino quinoline compounds AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
US-5744471-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1998-04-28 US disclosed
EP-0790996-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-27 EP disclosed
EP-0724583-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1996015127-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed
WO-1995011244-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1995-04-27 WO disclosed