SCHEMBL8567912

SCHEMBL8567912

Cc1ccc2c(O)c(C(=O)O)c(C(=O)O)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.54
LDHA P00338 3/20 0.50
LDHB P07195 3/20 0.50
ALB P02768 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GRM2 Q14416 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PDE10A Q9Y233 1/20 0.40
KDM5B Q9UGL1 2/20 0.40
KDM4A O75164 1/20 0.40

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
SCHEMBL8571648 0.81 DYRK1A (0.40) DHODHALDH1A1MEN1KMT2APOLB
SCHEMBL8574369 0.81 DHODH (0.48) DHODHALDH1A1KDM4EMAPT
SCHEMBL5754705 0.81 KMO (0.51) DHODHKMT2APOLBL3MBTL1TDP1
SCHEMBL28983359 0.81 DHODH (0.51) DHODHLDHALDHBALBALDH1A1
SCHEMBL8576520 0.81 DYRK1A (0.50) DHODHALDH1A1POLBKDM4EKDM5B
SCHEMBL29402079 0.78 ALDH1A1 (0.59) DHODHLDHAALDH1A1MEN1KMT2A
SCHEMBL6783762 0.78 ALDH1A1 (0.59) DHODHLDHAALDH1A1MEN1KMT2A
SCHEMBL8568050 0.78 IGFBP3 (0.44) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL8574096 0.78 KDM4E (0.49) DHODHALDH1A1GRM2MEN1KMT2A
SCHEMBL8574110 0.78 DHODH (0.49) DHODHALDH1A1KDM4E

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