SCHEMBL4465222

SCHEMBL4465222

Nc1c(N)n(-c2ccc(Cl)cc2)c(=S)[nH]c1=O.Nc1c(N=O)c(=O)[nH]c(=S)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 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 0.95 MAPT (0.47) MAPTALDH1A1KDM4EGAAAPOBEC3G
SCHEMBL4504602 0.89 MAPT (0.51) MAPTALDH1A1KDM4EGAAAPOBEC3G
SCHEMBL4471023 0.86 MEN1 (0.44) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL4460460 0.85 MAPT (0.51) MAPTALDH1A1KDM4EGAAAPOBEC3G
SCHEMBL4458183 0.82 GRIN2D (0.38) MAPTKDM4EGAAMEN1HTT
SCHEMBL4501815 0.81 MEN1 (0.47) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL4454027 0.80 ALDH1A1 (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4566658 0.78 CA12 (0.38) MAPTALDH1A1KDM4EGAAAPOBEC3G
SCHEMBL4454976 0.78 KMT2A (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4502590 0.76 MAPT (0.39) MAPTALDH1A1KDM4EGAAAPOBEC3G

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