SCHEMBL22133482

SCHEMBL22133482

COc1nc(-c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CCNS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 1/20 0.50

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
SCHEMBL24450924 0.93 TRPM2 (0.51) TRPM2
SCHEMBL22133756 0.88 TRPM2 (0.66) TRPM2
SCHEMBL22133475 0.81 CYP1A2 (0.50) TRPM2
SCHEMBL22133480 0.80 TRPM2 (0.62) TRPM2
SCHEMBL24450908 0.80 TRPM2 (0.62) TRPM2
SCHEMBL22133488 0.77 TRPM2 (0.64) TRPM2
SCHEMBL2292939 0.76 — —
SCHEMBL24450937 0.75 TRPM2 (0.80) TRPM2
SCHEMBL20711287 0.75 IMPDH2 (0.52) —
SCHEMBL22133474 0.75 TRPM2 (0.80) 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-2020132603-A2 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-06-25 — — WO disclosed
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