SCHEMBL8936191

SCHEMBL8936191

O=c1cc(CP(=O)(O)O)c2ccc(I)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.39
GRIN3B O60391 5/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2A Q12879 5/20 0.39
GRIN2B Q13224 5/20 0.39
GRIN2C Q14957 5/20 0.39
GRIN3A Q8TCU5 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR17 Q13304 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 4/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36
MITF O75030 1/20 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
SCHEMBL8936133 0.82 TP53 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19353900 0.80 ALDH1A1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8936072 0.80 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KMT2AKDM4EGAA
SCHEMBL8936178 0.78 GPR17 (0.38) SMN1; SMN2GPR17ALDH1A1KMT2AKDM4E
SCHEMBL8936045 0.76 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13264599 0.71 KDM4E (0.62) SMN1; SMN2ALDH1A1KDM4EGAAGLA
SCHEMBL8936103 0.69 TP53 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16652203 0.66 KDM4E (0.59) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL8936136 0.65 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8936210 0.65 GRIN2D (0.54) 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