SCHEMBL3239242

SCHEMBL3239242

CCCCNC(O)=S.NC(O)=S.NC(O)=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
EPHX1 P07099 4/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX12 P18054 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 4/20 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
SCHEMBL3202279 1.00 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL665711 0.98 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15610999 0.98 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10787969 0.98 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Propane SCHEMBL1286220 0.98 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Methane SCHEMBL1286293 0.98 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Octane SCHEMBL9220914 0.94 EPHX1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Trimethylammonium SCHEMBL15610872 0.94 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1730483 0.93 EPHX1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL689159 0.93

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-2010020008-A1 POLYMER COATINGS POLYMERS CRC LIMITED (AU) 2010-02-25 WO disclosed