SCHEMBL4460460

SCHEMBL4460460

Nc1c(N=O)c(=O)[nH]c(=S)n1-c1ccc(Cl)cc1.Nc1cc(=O)[nH]c(=S)n1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GAA P10253 2/20 0.43
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34

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
SCHEMBL4492126 0.90 MAPT (0.47) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL4471377 0.89 GAA (0.52) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4465222 0.85 MAPT (0.43) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL4465659 0.85 KMT2A (0.43) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4500342 0.85 MAPT (0.68) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4458183 0.81 GRIN2D (0.38) MAPTGAAKMT2AMEN1HTT
SCHEMBL4501815 0.79 MEN1 (0.47) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4454534 0.78 GAA (0.48) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4471023 0.75 MEN1 (0.44) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4454976 0.74 KMT2A (0.50) MAPTALDH1A1KMT2AHPGDMEN1

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
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 WO disclosed