SCHEMBL6233103

SCHEMBL6233103

COC(=O)c1c(C(=O)ONNC(=O)c2cccc(OCc3ccccc3)c2)[nH]c2cc(Cl)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MDM2 Q00987 5/20 0.45
MDM4 O15151 4/20 0.45
SMPD1 P17405 2/20 0.44
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX15 P16050 2/20 0.43
NR4A2 P43354 2/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
MCL1 Q07820 1/20 0.41
GUSB P08236 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
SCHEMBL8586504 0.79 MCL1 (0.47) MDM2MDM4NPC1RAB9AALOX15
SCHEMBL6168834 0.74 NR4A2 (0.47) MEN1KMT2AMDM2MDM4NPC1
SCHEMBL6170864 0.73 MDM2 (0.49) MEN1KMT2AMDM2MDM4NR4A2
SCHEMBL7509871 0.73 MEN1 (0.51) MEN1KMT2AMDM2MDM4SMPD1
SCHEMBL27008293 0.72 CTSV (0.54) NPC1CYP1A2CYP2C9RAB9AALOX15
SCHEMBL6233791 0.72 NR4A2 (0.52) ALOX15NR4A2
SCHEMBL8138735 0.71 MAOB (0.50) MEN1KMT2AMDM2MDM4SMPD1
SCHEMBL6169934 0.71 PTGS2 (0.52) MEN1KMT2ANR4A2MAOBMAOA
SCHEMBL8136343 0.71 MEN1 (0.48) MEN1KMT2AMDM2MDM4SMPD1
SCHEMBL27540593 0.70 NR4A2 (0.47) MEN1KMT2AMDM2MDM4SMPD1

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