SCHEMBL8828095

SCHEMBL8828095

O=c1[nH]c2cc(Cl)cc(Cl)c2cc1P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.49
GRIN2D O15399 3/20 0.46
GRIN3B O60391 3/20 0.46
GRIN2A Q12879 3/20 0.46
GRIN2B Q13224 3/20 0.46
GRIN2C Q14957 3/20 0.46
GRIN3A Q8TCU5 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DAO P14920 1/20 0.41
PARP1 P09874 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
SCHEMBL8828081 0.88 GRIN1 (0.46) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8873379 0.77 GRIN1 (0.51) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL974565 0.73 GRIN2D (0.48) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8654398 0.73 GRIN1 (0.52) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8828104 0.72 GRIN1 (0.63) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8872432 0.69 PARP1 (0.53) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8828082 0.68 GRIN1 (0.45) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8936152 0.68 TP53 (0.58) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL27548155 0.66 KMT2A (0.36) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL3033007 0.66 GRIN1 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646132-A TREATING CEREBRAL ISCHEMIA ADIR ET COMPAGNIE (FR) 1997-07-08 US disclosed
US-5536709-A INHIBITORS OF HYPERACTIVATION OF EXCITATORY AMINO ACIDS ADIR ET COMPAGNIE (FR) 1996-07-16 US disclosed