SCHEMBL3525845

SCHEMBL3525845

O=c1nc(-c2ccc3c(c2)OCO3)c2c3c(ccc2[nH]1)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.45
MAPK1 P28482 2/20 0.44
MAPKAPK2 P49137 2/20 0.44
MAPKAPK3 Q16644 2/20 0.44
MAPK6 Q16659 2/20 0.44
MAPKAPK5 Q8IW41 1/20 0.44
PDE10A Q9Y233 1/20 0.44
PDGFRB P09619 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
PARP1 P09874 2/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 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
SCHEMBL3519703 0.80 MAP2K4 (0.50) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL3522648 0.80 NQO2 (0.51) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL3519897 0.77 MAP2K4 (0.47) MAP2K4MAPK1MAPKAPK2MAPKAPK3MAPK6
SCHEMBL7686519 0.68 PARP1 (0.37) MAP2K4PDE10ARAB9APARP1TNKS
SCHEMBL10915643 0.67 NQO2 (0.41) PDE10APARP1GSK3BALDH1A1KDM4E
SCHEMBL4554406 0.67 PDE10A (0.47) PDE10AMEN1KMT2ARAB9APARP1
SCHEMBL7663113 0.67 ALOX5 (0.53) MAP2K4PDGFRBMEN1KMT2ARAB9A
SCHEMBL3523207 0.67 PDE3B (0.58) MEN1KMT2APARP1TNKSTNKS2
SCHEMBL340523 0.67 PDE10A (0.50) PDE10AMEN1KMT2AALDH1A1HPGD
Water SCHEMBL10751316 0.66 NQO2 (0.40) PDE10APARP1GSK3BALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652006-B2 For therapy and prophylaxis of neuronal loss associated with stroke, global and focal ischemia, CNS trauma, hypoglycemia and surgery, for ameliorating neurodegenerative diseases EURO-CELTIQUE S.A. (LU) 2010-01-26 US disclosed
US-6765006-B2 ANTAGONISTS OF AMINO-3-HYDROXY-5-METHYLISOXAZOLE-4-PROPIONIC ACID (AMPA) IONOTROPIC RECEPTORS; NEURODEGENERATIVE, ALZHEIMER'S, AND HUNTINGTON'S DISEASE; AMYOTROPHIC LATERAL SCLEROSIS; SCHIZOPHRENIA, EXCITATORY AMINO ACID DEFICIENCY EURO-CELTIQUE S.A. (LU) 2004-07-20 US disclosed