SCHEMBL5020140

SCHEMBL5020140

CC(C)(NS(=O)(=O)N1CCN(c2ccc(N)cn2)CC1)c1cnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
RET P07949 1/20 0.35
OGA O60502 1/20 0.35
GAA P10253 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GCK P35557 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
PKM P14618 2/20 0.32
ME2 P23368 2/20 0.32
ME1 P48163 2/20 0.32
ME3 Q16798 2/20 0.32

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
SCHEMBL5020141 0.88 GPR119 (0.41) RETOGAKMT2AGPR119ME2
SCHEMBL4756229 0.85 PANK3 (0.44) RETGPR119
SCHEMBL20997913 0.82 GAA (0.33) RETGAAKDM4EMEN1KMT2A
SCHEMBL5020139 0.78 HSD11B1 (0.45) GAAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2254910 0.71 LMNA (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4789296 0.68 GPR119 (0.43) RETGAAKDM4EMEN1KMT2A
SCHEMBL19998348 0.68 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29499599 0.68 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL529782 0.66 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5020185 0.65

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
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed