SCHEMBL8574356

SCHEMBL8574356

COC(=O)c1nc2ccccc2c(N)c1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.55
TP53 P04637 3/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 5/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
GLA P06280 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
NQO2 P16083 1/20 0.46
MAOA P21397 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL28958009 0.86 MEN1 (0.63) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL7649523 0.85 HSD17B10 (0.72) HSD17B10TP53KMT2AMEN1KDM4E
SCHEMBL8569494 0.83 MEN1 (0.56) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL8569908 0.82 KDM4E (0.55) TP53KMT2AMEN1KDM4EALDH1A1
SCHEMBL618360 0.81 ALDH1A1 (0.53) HSD17B10TP53KMT2AMEN1KDM4E
SCHEMBL28280694 0.79 ACHE (0.50) HSD17B10TP53KMT2AMEN1KDM4E
SCHEMBL28342069 0.79 KDM4E (0.54) HSD17B10KMT2AMEN1KDM4EALDH1A1
SCHEMBL38662586 0.79 MEN1 (0.71) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL2443270 0.79 MEN1 (0.71) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL28293697 0.78 ADORA3 (0.61) HSD17B10TP53KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739133-A N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5733910-A Pyridazinedione compounds useful in the treating neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-03-31 US disclosed
US-5604227-A EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-18 US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 US disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 EP disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 EP disclosed