SCHEMBL8924322

SCHEMBL8924322

O=c1[nH]c2cc(Cl)cc(Cl)c2c(O)c1SCCCc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.43
GRIN3B O60391 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
GRIN2B Q13224 3/20 0.43
GRIN2C Q14957 3/20 0.43
GRIN3A Q8TCU5 3/20 0.43
EEF2K O00418 1/20 0.40
PLK4 O00444 1/20 0.40
IKBKB O14920 1/20 0.40
DYRK3 O43781 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
RPS6KA3 P51812 1/20 0.40
NEK4 P51957 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
SCHEMBL8924304 0.83 GRIN1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8921159 0.82 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8921936 0.80 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8921635 0.79 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8921234 0.78 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8922553 0.78 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8923061 0.78 GRIN1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8922650 0.77 MRGPRX4 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8923576 0.75 CYP4A11 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8924327 0.74 CYP4F2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed