SCHEMBL12418026

SCHEMBL12418026

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)CSc2ccccc2O)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 1/20 0.58
▸ IMPDH2 P12268 2/20 0.58
▸ IMPDH1 P20839 2/20 0.58

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
SCHEMBL12379202 1.00 TRPM2 (0.58) TRPM2IMPDH2IMPDH1
SCHEMBL12379200 0.85 IMPDH2 (0.62) TRPM2IMPDH2IMPDH1
SCHEMBL12379228 0.84 TRPM2 (0.66) TRPM2IMPDH2IMPDH1
SCHEMBL14520292 0.84 TRPM2 (0.57) TRPM2IMPDH2IMPDH1
SCHEMBL12379199 0.84 IMPDH2 (0.61) TRPM2IMPDH2IMPDH1
SCHEMBL12379201 0.83 TRPM2 (0.56) TRPM2IMPDH2IMPDH1
SCHEMBL7102573 0.83 DPP4 (0.69) —
SCHEMBL12379181 0.82 TRPM2 (0.58) TRPM2
SCHEMBL22837892 0.82 TRPM2 (0.58) TRPM2
SCHEMBL22837893 0.82 TRPM2 (0.58) TRPM2

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
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 — — US disclosed
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