SCHEMBL7357440

SCHEMBL7357440

O=c1[nH]c2ccc([N+](=O)[O-])cc2n(Cc2ccc(P(=O)(O)O)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.47
SRC P12931 2/20 0.46
NOX4 Q9NPH5 2/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
GRIA1 P42261 3/20 0.43
GRIA2 P42262 3/20 0.43
GRIA3 P42263 3/20 0.43
GRIA4 P48058 3/20 0.43
IDO1 P14902 1/20 0.42
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
GRIK3 Q13003 2/20 0.39
GRIK4 Q16099 2/20 0.39
GRIK5 Q16478 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX4 Q99571 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL7354370 0.91 SRC (0.46) PGRSRCNOX4PRKACAPRKACG
SCHEMBL7349479 0.86 PGR (0.42) PGRSRCNOX4PRKACAPRKACG
SCHEMBL7349490 0.85 PGR (0.39) PGRSRCNOX4PRKACAPRKACG
SCHEMBL7352784 0.84 PGR (0.49) PGRSRCNOX4PRKACAPRKACG
SCHEMBL9556876 0.84 PGR (0.50) PGRSRCNOX4PRKACAPRKACG
SCHEMBL7356157 0.81 SMN1; SMN2 (0.46) PGRSRCNOX4PRKACAPRKACG
SCHEMBL7352859 0.80 PARG (0.41) SRCNOX4PRKACAPRKACGPRKACB
SCHEMBL7353587 0.78 PGR (0.52) PGRNOX4GRIA1GRIA2GRIA3
SCHEMBL7353149 0.77 PARG (0.42) SRCNOX4PRKACAPRKACGPRKACB
SCHEMBL8609965 0.77 CYP1A2 (0.57) PGRGRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed