SCHEMBL26054963

SCHEMBL26054963

O=C(c1nncs1)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2s1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
AOC3 Q16853 1/20 0.32
TPH1 P17752 1/20 0.31
HSD11B1 P28845 2/20 0.31
NAAA Q02083 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
SCHEMBL31596183 1.00 UBE2M (0.32) UBE2MDCUN1D1AOC3TPH1HSD11B1
SCHEMBL26053991 0.87 GRM5 (0.34) UBE2MDCUN1D1AOC3TPH1HSD11B1
SCHEMBL26053711 0.87 TPH1 (0.41) UBE2MDCUN1D1AOC3TPH1
SCHEMBL26055260 0.87 AOC3 (0.33) UBE2MDCUN1D1AOC3TPH1HSD11B1
SCHEMBL26054970 0.87 RAB9A (0.33) UBE2MDCUN1D1AOC3TPH1
SCHEMBL26054888 0.87 AOC3 (0.33) UBE2MDCUN1D1AOC3TPH1HSD11B1
SCHEMBL31596204 0.85 GRM5 (0.36) UBE2MDCUN1D1AOC3TPH1HSD11B1
SCHEMBL26055111 0.83 UBE2M (0.35) UBE2MDCUN1D1AOC3TPH1
SCHEMBL31595722 0.83 UBE2M (0.35) UBE2MDCUN1D1AOC3TPH1
SCHEMBL26054886 0.83 UBE2M (0.35) UBE2MDCUN1D1AOC3TPH1HSD11B1

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-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed