SCHEMBL23130375

SCHEMBL23130375

NC(CCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
CA1 P00915 5/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
HSD11B1 P28845 1/20 0.39
ASAH2 Q9NR71 1/20 0.39
PKM P14618 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38

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
SCHEMBL21157752 0.76 CA9 (0.46) CA2CA1CA12CA9CA14
SCHEMBL21566472 0.74 F2 (0.40) CA2CA1CA12CA9CA14
SCHEMBL7356445 0.74 CA2 (0.60) CA2CA1CA12CA9CA14
SCHEMBL4773947 0.74 CA2 (0.53) CA2CA1CA12CA9CA14
SCHEMBL30490572 0.73 GRM8 (0.53) CA2CA1CA12CA9CA14
SCHEMBL9340091 0.73 CA2 (0.58) CA2CA1CA12CA9CA14
SCHEMBL29254192 0.73 LMNA (0.50) MMP2KMT2AALDH1A1
SCHEMBL19126866 0.73 CA2 (0.59) CA2CA1CA12CA9CA14
SCHEMBL4763600 0.72 CA2 (0.52) CA2CA1CA12CA9CA14
SCHEMBL20468019 0.71 CA2 (0.50) CA2CA1CA12CA9CA14

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
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP disclosed