SCHEMBL27680441

SCHEMBL27680441

CC(C)(Cc1cnnn1C(=O)O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.36
HSD11B1 P28845 4/20 0.31
PTGS2 P35354 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL27687687 0.72 SLC1A3 (0.39) SLC1A3HSD11B1PTGS2
SCHEMBL18354593 0.71 SLC1A3 (0.33) SLC1A3HSD11B1
SCHEMBL473547 0.69
SCHEMBL27537116 0.67 SLC1A3 (0.33) SLC1A3MAPT
SCHEMBL27858485 0.65
SCHEMBL25504055 0.63 SLC1A3 (0.38) SLC1A3HSD11B1PTGS2
SCHEMBL27279152 0.61
SCHEMBL27876412 0.61
SCHEMBL11312956 0.61
SCHEMBL31336881 0.61 FDPS (0.47)

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
CN-101039934-A 1, 5-diheterocyclic-1H-triazole derivatives DAIICHI SEIYAKU CO (JP) 2007-09-19 CN disclosed