SCHEMBL26054888

SCHEMBL26054888

O=C(c1nc(Cl)cs1)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.33
TPH1 P17752 6/20 0.33
HSD11B1 P28845 2/20 0.32
UBE2M P61081 2/20 0.32
DCUN1D1 Q96GG9 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 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
SCHEMBL26053991 0.87 GRM5 (0.34) AOC3TPH1HSD11B1UBE2MDCUN1D1
SCHEMBL26053583 0.87 TPH1 (0.41) AOC3TPH1UBE2MDCUN1D1ALDH1A1
SCHEMBL26054963 0.87 UBE2M (0.32) AOC3TPH1HSD11B1UBE2MDCUN1D1
SCHEMBL31596183 0.87 UBE2M (0.32) AOC3TPH1HSD11B1UBE2MDCUN1D1
SCHEMBL26055260 0.85 AOC3 (0.33) AOC3TPH1HSD11B1UBE2MDCUN1D1
SCHEMBL26054886 0.84 UBE2M (0.35) AOC3TPH1HSD11B1UBE2MDCUN1D1
SCHEMBL26054205 0.84 UBE2M (0.37) TPH1UBE2MDCUN1D1ALDH1A1GAA
SCHEMBL31596204 0.83 GRM5 (0.36) AOC3TPH1HSD11B1UBE2MDCUN1D1
SCHEMBL26055110 0.83 UBE2M (0.38) AOC3TPH1UBE2MDCUN1D1ALDH1A1
SCHEMBL26054975 0.82 UBE2M (0.33) AOC3TPH1HSD11B1UBE2MDCUN1D1

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