SCHEMBL7896841

SCHEMBL7896841

Cc1cc2c(cc1C(=O)O)[nH]c(=O)c1nnc(C(C)C3CC3)n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.34
GRIN3B O60391 3/20 0.34
GRIA1 P42261 3/20 0.34
GRIA2 P42262 3/20 0.34
GRIA3 P42263 3/20 0.34
GRIA4 P48058 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2A Q12879 3/20 0.34
GRIN2B Q13224 3/20 0.34
GRIN2C Q14957 3/20 0.34
GRIN3A Q8TCU5 3/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
HKDC1 Q2TB90 1/20 0.33

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
SCHEMBL12043353 0.90 GRIN2D (0.34) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL470981 0.79 PDE9A (0.43) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7898752 0.79 PDE9A (0.45) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL12043357 0.78 GRIN2D (0.44) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7906299 0.78 PDE9A (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL12043283 0.77 PDE9A (0.38) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7904372 0.77 PDE9A (0.38) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7905754 0.77 PDE9A (0.38) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7908131 0.77 PDE9A (0.36) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL12043339 0.76 KDM4E (0.37) GRIN2DGRIN3BGRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed