SCHEMBL5973354

SCHEMBL5973354

Cc1cc(F)cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 15/20 0.67
GRIN2D O15399 14/20 0.67
GRIN3B O60391 14/20 0.67
GRIN2A Q12879 14/20 0.67
GRIN2B Q13224 14/20 0.67
GRIN2C Q14957 14/20 0.67
GRIN3A Q8TCU5 14/20 0.67
HSD17B10 Q99714 2/20 0.67
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PARP1 P09874 1/20 0.44
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42

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
SCHEMBL19779947 0.85 GRIN1 (0.48) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7784329 0.80 GRIN2D (1.00) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL31285296 0.79 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL4706160 0.79 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2639882 0.79 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL2640204 0.79 GRIN1 (0.66) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL12970315 0.79 GRIN2D (0.47) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5974273 0.78 GRIN1 (0.60) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973771 0.77 GRIN1 (0.68) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973665 0.77 GRIN1 (0.64) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934326-B1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS NOVARTIS AG (CH) 2006-05-03 EP disclosed
US-6117873-A CAN BE USED FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS WHICH RESPOND TO BLOCKAGE OF EXCITATORY AMINO ACID RECEPTORS NOVARTIS AG (CH) 2000-09-12 US disclosed
EP-0934326-A1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS Novartis AG (CH) 1999-08-11 EP disclosed
WO-1998017672-A1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS NOVARTIS AG (CH) 1998-04-30 WO disclosed