SCHEMBL7361791

SCHEMBL7361791

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.48
GRIA2 P42262 2/20 0.48
GRIA3 P42263 2/20 0.48
GRIA4 P48058 2/20 0.48
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 1/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
PARP1 P09874 2/20 0.44
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MPI P34949 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 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
SCHEMBL7350733 0.88 GRIN2D (0.57) GRIA1GRIA2GRIA3GRIA4SIRT2
SCHEMBL7354078 0.85 SIRT2 (0.43) GRIA1GRIA2GRIA3GRIA4SIRT2
SCHEMBL8609548 0.84 CYP1A2 (0.57) GRIA1GRIA2GRIA3GRIA4SIRT2
SCHEMBL7386120 0.84 SIRT2 (0.42) GRIA1GRIA2GRIA3GRIA4SIRT2
SCHEMBL7358401 0.83 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4SIRT2
SCHEMBL9542780 0.82 SIRT2 (0.52) GRIA1GRIA2GRIA3GRIA4SIRT2
SCHEMBL7357748 0.81 SIRT2 (0.48) GRIA1GRIA2GRIA3GRIA4SIRT2
SCHEMBL7354092 0.80 GRIN1 (0.42) GRIA1GRIA2GRIA3GRIA4SIRT2
SCHEMBL7361295 0.79 SIRT2 (0.46) GRIA1GRIA2GRIA3GRIA4SIRT2
SCHEMBL9093775 0.79 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4SIRT2

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