SCHEMBL19302879

SCHEMBL19302879

COC(=O)c1cccc(C(=O)CC(C=O)CNS(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.54

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
SCHEMBL19302877 0.90 TARS1 (0.57)
SCHEMBL19303050 0.86
SCHEMBL19302874 0.84 HINT1 (0.55) NNMT
SCHEMBL19302868 0.82 NNMT (0.54) NNMT
SCHEMBL19302866 0.77 GNMT (0.60)
SCHEMBL19302867 0.76 TARS1 (0.64)
SCHEMBL19302678 0.75 HINT1 (0.56)
SCHEMBL19302871 0.74 GNMT (0.59) NNMT
SCHEMBL20711309 0.73 TRPM2 (0.66)
SCHEMBL19302923 0.73 TRPM2 (0.59)

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