SCHEMBL7593713

SCHEMBL7593713

CCOC(=O)C(C)(N)Cc1c(C)ccc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 4/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
GRIA1 P42261 2/20 0.34
GRIA2 P42262 2/20 0.34
GRIA3 P42263 2/20 0.34
GRIA4 P48058 2/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 6/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL9233712 0.89 KDM4E (0.37) KDM4EALDH1A1GLAPOLBKMT2A
SCHEMBL9230821 0.76 GRIA1 (0.61) KDM4EALDH1A1GLAKMT2AGRIA1
SCHEMBL9231432 0.68 THRB (0.39) ALDH1A1KMT2ALMNAHPGDNPSR1
SCHEMBL10684512 0.66 MMP8 (0.61) ALDH1A1POLBLMNANPSR1MAPT
SCHEMBL8634867 0.66 GRIN2D (0.44) GRIA1GRIA2GRIA3GRIA4HSD17B10
SCHEMBL1831636 0.66 MMP8 (0.61) ALDH1A1POLBLMNANPSR1MAPT
SCHEMBL7948487 0.66 HSD17B10 (0.44) KDM4EALDH1A1GRIA1GRIA2GRIA3
SCHEMBL604459 0.66 MMP8 (0.61) ALDH1A1POLBLMNANPSR1MAPT
SCHEMBL7586256 0.65 CYP1A2 (0.36) KDM4EALDH1A1KMT2AHSD17B10LMNA
SCHEMBL9386398 0.65 BLM (0.63) KDM4EALDH1A1POLBKMT2AHSD17B10

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-0832074-B1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-09-04 EP disclosed
WO-1996040649-A1 AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-12-19 WO disclosed