SCHEMBL7564714

SCHEMBL7564714

COC(=O)c1c(C(=O)NNc2ccc(OC)cc2C)[nH]c2cc(Cl)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCL1 Q07820 2/20 0.42
EGFR P00533 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 2/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 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
SCHEMBL8587962 0.86 ALDH1A1 (0.45) ALOX15GAAMAPTALDH1A1LMNA
SCHEMBL8586504 0.76 MCL1 (0.47) ALOX15ALDH1A1HPGDMCL1
SCHEMBL6230583 0.76 NR4A2 (0.52) ALOX15NR4A2
SCHEMBL6233791 0.76 NR4A2 (0.52) ALOX15NR4A2
SCHEMBL6236235 0.70 KDM4E (0.39) KDM4EKMT2AMEN1S1PR4
SCHEMBL28405063 0.69 ABCG2 (0.56) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2082214 0.67 NR4A2 (0.63) ALOX15MAPTNR4A2
SCHEMBL25212344 0.67 NR4A2 (0.52) ALOX15TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9709251 0.66 ABCG2 (0.68) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL25197469 0.66 NR4A2 (0.51) ALOX15TUBB4ATUBBTUBA3CTUBA1B

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
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-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