SCHEMBL9542267

SCHEMBL9542267

C[PH](=O)O.Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.49
GRIA2 P42262 2/20 0.49
GRIA3 P42263 2/20 0.49
GRIA4 P48058 2/20 0.49
PARP1 P09874 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MPI P34949 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 2/20 0.41
DAO P14920 1/20 0.40
HRH4 Q9H3N8 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
SCHEMBL31439101 0.92 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL31439102 0.92 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9395642 0.92 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL27527236 0.78 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL29634290 0.78 PGR (0.60) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL2718464 0.78 PGR (0.60) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9542780 0.75 SIRT2 (0.52) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL8609548 0.75 CYP1A2 (0.57) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL4980076 0.74 SIRT2 (0.63) GRIA1GRIA2GRIA3GRIA4SIRT2
SCHEMBL7349770 0.73 GRIK1 (0.61) GRIA1GRIA2GRIA3GRIA4PARP1

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
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO claimed
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed