SCHEMBL8119682

SCHEMBL8119682

NC(Cc1c(C(=O)O)noc1-c1cccs1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.53
GRIA3 P42263 2/20 0.53
SLC7A11 Q9UPY5 1/20 0.47
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
GRIK4 Q16099 1/20 0.39
GRIK5 Q16478 1/20 0.39
CYP2C19 P33261 1/20 0.38
MCL1 Q07820 1/20 0.38
RORC P51449 1/20 0.38
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 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
SCHEMBL8119688 1.00 GRIA1 (0.53) GRIA1GRIA3SLC7A11KDM4EMEN1
SCHEMBL7049750 0.86 GRIA1 (0.40) GRIA1GRIA3SLC7A11GRIK1GRIA2
SCHEMBL7371185 0.86 GRIA1 (0.40) GRIA1GRIA3SLC7A11GRIK1GRIA2
SCHEMBL19668565 0.81 KDM4E (0.42) KDM4EMEN1MAPK1KMT2AMCL1
SCHEMBL8135086 0.81 MCL1 (0.41) KDM4EMEN1MAPK1KMT2ACYP2C19
SCHEMBL7402019 0.81 GRIA1 (0.46) GRIA1GRIA3KDM4EGRIK1GRIA2
SCHEMBL7406133 0.81 GRIA1 (0.58) GRIA1GRIA3KDM4EGRIK1GRIA2
SCHEMBL7402024 0.81 GRIA1 (0.46) GRIA1GRIA3KDM4EGRIK1GRIA2
SCHEMBL7406142 0.81 GRIA1 (0.58) GRIA1GRIA3KDM4EGRIK1GRIA2
SCHEMBL27353038 0.79 MCL1 (0.42) KDM4EMEN1MAPK1KMT2AMCL1

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
EP-0994107-A1 5-Arylisoxazol-4-yl-substituted 2-amino carboxylic acid compounds H. LUNDBECK A/S (DK) 2000-04-19 EP disclosed
CN-1136810-A 5-arylisoxazol-4-yl-substituted 2-aminocarboxylic acid compounds LUNDBECK & CO AS H (DK) 1996-11-27 CN disclosed