SCHEMBL5973665

SCHEMBL5973665

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 10/20 0.64
GRIN2D O15399 9/20 0.64
GRIN3B O60391 9/20 0.64
GRIN2A Q12879 9/20 0.64
GRIN2B Q13224 9/20 0.64
GRIN2C Q14957 9/20 0.64
GRIN3A Q8TCU5 9/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
GRIK4 Q16099 1/20 0.46
GRIK5 Q16478 1/20 0.46

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
SCHEMBL2638792 0.81 GRIN1 (0.53) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7787746 0.79 GRIN1 (0.64) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7784329 0.78 GRIN2D (1.00) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL27528932 0.78 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL462721 0.78 GRIN1 (0.50) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973354 0.77 GRIN1 (0.67) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5973771 0.75 GRIN1 (0.68) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8092033 0.75 GRIN1 (0.69) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL27485104 0.73 GRIN1 (0.43) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL31284497 0.73 GRIN2D (0.68) 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 9 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
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
EP-0934326-A1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS Novartis AG (CH) 1999-08-11 EP disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1998017672-A1 SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS NOVARTIS AG (CH) 1998-04-30 WO disclosed
EP-0837864-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS Novartis AG (CH) 1998-04-29 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed
WO-1997003079-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS NOVARTIS AG (CH) 1997-01-30 WO disclosed