SCHEMBL6231676

SCHEMBL6231676

COC(=O)c1c(C(=O)Cl)nc2cc(Cl)cc(Cl)c2c1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.40
PLA2G2A P14555 2/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
S1PR4 O95977 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6230616 0.92 NQO2 (0.41) NQO2PLA2G2APOLBKMT2ACA12
SCHEMBL6233183 0.90 PLA2G2A (0.42) NQO2PLA2G2APOLBKMT2AKDM4E
SCHEMBL9055771 0.81 NQO2 (0.39) NQO2PLA2G2APOLBKMT2ACA12
SCHEMBL9055766 0.81 NQO2 (0.39) NQO2PLA2G2APOLBKMT2ACA12
SCHEMBL8572170 0.80 ALDH1A1 (0.41) NQO2PLA2G2APOLBKMT2ACA12
SCHEMBL8574414 0.80 ALDH1A1 (0.41) NQO2PLA2G2AKMT2AKDM4ES1PR4
SCHEMBL6231653 0.79 EGFR (0.48) PLA2G2APOLBKMT2AKDM4EALDH1A1
SCHEMBL8573362 0.76 GABRP (0.46) NQO2KDM4EALDH1A1GAA
SCHEMBL8569654 0.76 POLB (0.45) POLBKMT2ACA12CA1CA2
SCHEMBL8569839 0.75 AKR1C4 (0.42) KMT2AALDH1A1

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 11 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
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 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