SCHEMBL28640869

SCHEMBL28640869

NCCS(=O)(=O)c1c[c]ccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.33
HSD11B1 P28845 1/20 0.33
PSIP1 O75475 1/20 0.32
CA2 P00918 3/20 0.32
LOXL2 Q9Y4K0 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
PLA2G7 Q13093 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8435774 0.81 PSIP1 (0.41) HSD11B1PSIP1
SCHEMBL4524280 0.81 CA2 (0.47) HSD11B1PSIP1CA2L3MBTL1
SCHEMBL7863515 0.81 HSD11B1 (0.33) HSD11B1PSIP1L3MBTL1
SCHEMBL9572295 0.80 HSD11B1 (0.35) HSD11B1PSIP1CA2L3MBTL1
SCHEMBL160580 0.79 PSIP1 (0.56) HTR6HSD11B1PSIP1
SCHEMBL28129004 0.77 LOX (0.40) PSIP1CA2CA12CA1CA4
SCHEMBL28206252 0.77 PSIP1 (0.34) HTR6HSD11B1PSIP1L3MBTL1
SCHEMBL4365964 0.76 CA2 (0.39) HSD11B1PSIP1CA2LOXL2CA12
SCHEMBL8926410 0.76 THRB (0.42) PSIP1CA2CA12CA1CA9
SCHEMBL10606555 0.76 THRB (0.42) PSIP1CA2CA12CA1CA9

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
CN-113365984-A LOX inhibitors 癌症研究协会皇家癌症医院 2021-09-07 CN disclosed