SCHEMBL8936103

SCHEMBL8936103

O=c1cc(CCP(=O)(O)O)c2ccc(Cl)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GRIN2D O15399 4/20 0.43
GRIN3B O60391 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2B Q13224 4/20 0.43
GRIN2C Q14957 4/20 0.43
GRIN3A Q8TCU5 4/20 0.43
PARP1 P09874 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL8936133 0.86 TP53 (0.54) TP53SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL8936172 0.81 SMN1; SMN2 (0.49) TP53SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL8936145 0.80 TP53 (0.57) TP53SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL8936152 0.75 TP53 (0.58) TP53SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL8127333 0.74 TP53 (0.66) TP53SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL8936101 0.72 TP53 (0.55) TP53SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL2796184 0.70 TP53 (0.70) TP53SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL29410772 0.70 TP53 (0.70) TP53SMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL2797754 0.69 TP53 (1.00) TP53SMN1; SMN2PARP1CA9LMNA
SCHEMBL8620550 0.69 GRIN1 (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342946-A Phosphonoalkylquinolin-2-ones as novel antagonists of non-NMDA ionotropic excitatory amino acid receptors GUILFORD PHARMACEUTICALS INC. (US) 1994-08-30 US claimed
US-5510338-A ADMINISTERING TO A MAMMAL TO RELIEVE PAIN AND TO TREAT CONVULSIONS, CEREBRAL ISCHEMIC DAMAGE, AND EMESIS GUILFORD PHARMACEUTICALS INC. (US) 1996-04-23 US disclosed
US-5342946-A Phosphonoalkylquinolin-2-ones as novel antagonists of non-NMDA ionotropic excitatory amino acid receptors GUILFORD PHARMACEUTICALS INC. (US) 1994-08-30 US disclosed