SCHEMBL12417548

SCHEMBL12417548

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc[nH]c2=O)CC1O

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.59

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
SCHEMBL13773396 0.88 TRPM2 (0.76) TRPM2
SCHEMBL12418524 0.88 TRPM2 (0.76) TRPM2
SCHEMBL12379252 0.87 TRPM2 (0.78) TRPM2
SCHEMBL2293848 0.84 TRPM2 (0.70) TRPM2
SCHEMBL12379251 0.82 TRPM2 (0.58) TRPM2
SCHEMBL13773378 0.80 SARS1 (0.53)
SCHEMBL2292678 0.75 TRPM2 (0.84) TRPM2
SCHEMBL2292692 0.75 TRPM2 (0.84) TRPM2
SCHEMBL20711209 0.75 TRPM2 (0.65) TRPM2
SCHEMBL15430721 0.75 TRPM2 (0.84) 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