SCHEMBL19302800

SCHEMBL19302800

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2-c2nnn[nH]2)[C@@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 1/20 0.64

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
SCHEMBL19302704 0.90 HINT1 (0.55) TRPM2
SCHEMBL19302750 0.88 TRPM2 (0.64) TRPM2
SCHEMBL19302683 0.86 TRPM2 (0.72) TRPM2
SCHEMBL19302799 0.86 TRPM2 (0.64) TRPM2
SCHEMBL19302894 0.86 TRPM2 (0.68) TRPM2
SCHEMBL19302915 0.86 TRPM2 (0.69) TRPM2
SCHEMBL19303080 0.85 TRPM2 (0.47) TRPM2
SCHEMBL19302684 0.85 TRPM2 (0.70) TRPM2
SCHEMBL19302806 0.85 TRPM2 (0.64) TRPM2
SCHEMBL20508954 0.84 TRPM2 (0.63) 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
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 — — WO disclosed
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