SCHEMBL6231682

SCHEMBL6231682

N#Cc1ccc(CNN=C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.55
CYP19A1 P11511 3/20 0.49
CYP2A6 P11509 1/20 0.44
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTBP2 P56545 1/20 0.40
KDM1A O60341 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
SCHEMBL14545912 0.77 LOXL2 (0.59) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL28750594 0.76 CA12 (0.43) CA12CA1CA2KDM4EALDH1A1
SCHEMBL517815 0.75 LOXL2 (0.61) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL23879203 0.73 LOXL2 (0.71) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL6232801 0.73 FFAR1 (0.44) EPHX2ALDH1A1HDAC6
SCHEMBL10078294 0.72 LOXL2 (0.63) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL5992317 0.72 LOXL2 (0.63) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL509578 0.71 LOXL2 (1.00) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL25588079 0.71 LOXL2 (0.68) LOXL2CYP19A1CYP2A6SAE1UBA2
SCHEMBL17164098 0.71 LOXL2 (0.48) LOXL2CYP19A1CYP2A6SAE1UBA2

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