SCHEMBL8570799

SCHEMBL8570799

COC(=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2c(O)c1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8573362 0.86 GABRP (0.46) NOTUMGABRPGABRDGABRA1GABRB1
SCHEMBL8567906 0.81 CA12 (0.41) NOTUMKDM4EALDH1A1HPGDATM
SCHEMBL8569928 0.79 GPR17 (0.40) KDM4EALDH1A1JUNNFKB1NFKB2
SCHEMBL8571497 0.79 CFTR (0.44) KDM4EALDH1A1HPGDATMMAPT
SCHEMBL8569909 0.72 ALDH1A1 (0.44) KDM4EALDH1A1HPGDATMMAPT
SCHEMBL6230616 0.71 NQO2 (0.41) KDM4EALDH1A1HPGDATMNPSR1
SCHEMBL8872121 0.70 KDM4E (0.38) KDM4ECACNA1HCACNA1BCACNA1C
SCHEMBL8572170 0.70 ALDH1A1 (0.41) KDM4EALDH1A1HPGDATMMAPT
SCHEMBL8574414 0.70 ALDH1A1 (0.41) KDM4EALDH1A1HPGDATMMAPT
SCHEMBL8572333 0.69 CFTR (0.58) NOTUMGABRPGABRDGABRA1GABRB1

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