SCHEMBL8570997

SCHEMBL8570997

CCc1cc(N)c(C(=O)OC)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.37
GLA P06280 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.36
PRKCZ Q05513 1/20 0.36
CFTR P13569 1/20 0.36
ABL1 P00519 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL3860214 0.81 RAB9A (0.44) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL8570084 0.77 NOTUM (0.41) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL18829972 0.71 ALDH1A1 (0.58) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3170343 0.71 AGTR1 (0.42) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL11081950 0.71 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL30858284 0.71 MAPT (0.43) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL27203057 0.71 MAPT (0.43) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL1189541 0.70 CA1 (0.52) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL8567822 0.70 KDM4E (0.38) GAAKDM4EALDH1A1HSD17B10MAPT
SCHEMBL10535950 0.70 KDM4E (0.47) GAAKDM4EALDH1A1HSD17B10MAPT

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