SCHEMBL8936157

SCHEMBL8936157

O=c1cc(CBr)c2c(Cl)cc(Cl)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
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
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8936210 0.78 GRIN2D (0.54) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL6579538 0.74 GRIN2D (0.53) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL8936088 0.73 CA12 (0.36) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL8936160 0.72 GRIN2D (0.43) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL9387679 0.71 GRIN2D (0.50) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL8873310 0.70 GRIN2D (0.54) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL30041447 0.70 LMNA (0.60) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL28402937 0.70 LMNA (0.60) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL28347926 0.69 GRIN2D (0.50) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL8873815 0.68 CA12 (0.45) CA12CA9GRIN2DGRIN3BGRIN1

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-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