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Sugi Predict / Compounds / SCHEMBL19302776

SCHEMBL19302776

SCHEMBL19302776

C=C(CCC(=O)NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1C(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.55
▸ TRPM2 O94759 1/20 0.55

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
SCHEMBL19302678 0.93 HINT1 (0.56) HINT1TRPM2
SCHEMBL19302685 0.89 TRPM2 (0.68) TRPM2
SCHEMBL19302777 0.86 TRPM2 (0.52) TRPM2
SCHEMBL19302681 0.85 HINT1 (0.58) HINT1TRPM2
SCHEMBL19302874 0.84 HINT1 (0.55) HINT1
SCHEMBL19302918 0.84 HINT1 (0.56) HINT1TRPM2
SCHEMBL20711309 0.82 TRPM2 (0.66) TRPM2
SCHEMBL19302869 0.82 HINT1 (0.55) HINT1
SCHEMBL19302684 0.81 TRPM2 (0.70) TRPM2
SCHEMBL20711315 0.81 TRPM2 (0.77) 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