SCHEMBL7353155

SCHEMBL7353155

CCC(C)OP(=O)(O)c1ccc(Cn2c(=O)c(=O)[nH]c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.40
SRC P12931 2/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
BRPF1 P55201 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK4 Q16099 1/20 0.36
GRIK5 Q16478 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7349490 0.93 PGR (0.39) PARGSRCPRKACAPRKACGPRKACB
SCHEMBL7352859 0.87 PARG (0.41) PARGSRCPRKACAPRKACGPRKACB
SCHEMBL7354370 0.85 SRC (0.46) PARGSRCPRKACAPRKACGPRKACB
SCHEMBL7354092 0.83 GRIN1 (0.42) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7353149 0.82 PARG (0.42) PARGSRCPRKACAPRKACGPRKACB
SCHEMBL7353289 0.80 GRIK1 (0.40) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7357440 0.77 PGR (0.47) SRCPRKACAPRKACGPRKACBNOX4
SCHEMBL7352546 0.76 PARG (0.47) PARGSRCPRKACAPRKACGPRKACB
SCHEMBL9395755 0.75 PGR (0.54) SIRT2SIRT1KMT2AMEN1
SCHEMBL7352345 0.75 CCR2 (0.46) PARGSRCPRKACAPRKACGPRKACB

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-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