SCHEMBL22133487

SCHEMBL22133487

O=C(NS(=O)(=O)OCC1O[C@@H](n2cnc3c(OC4CC4)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1O

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 1/20 0.77

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
SCHEMBL24450942 1.00 TRPM2 (0.77) TRPM2
SCHEMBL24450943 0.91 TRPM2 (0.79) TRPM2
SCHEMBL22133474 0.90 TRPM2 (0.80) TRPM2
SCHEMBL24450937 0.90 TRPM2 (0.80) TRPM2
SCHEMBL22133486 0.89 TRPM2 (0.78) TRPM2
SCHEMBL22133479 0.89 TRPM2 (0.60) TRPM2
SCHEMBL24450907 0.89 TRPM2 (0.60) TRPM2
SCHEMBL22133484 0.88 TRPM2 (0.77) TRPM2
SCHEMBL13773217 0.87 TRPM2 (1.00) TRPM2
SCHEMBL12379248 0.87 TRPM2 (1.00) 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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