SCHEMBL26055110

SCHEMBL26055110

O=C(c1nc(Cl)cs1)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 4/20 0.38
DCUN1D1 Q96GG9 4/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
TPH1 P17752 7/20 0.34
SPR P35270 4/20 0.34
NAMPT P43490 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
AOC3 Q16853 1/20 0.32

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
SCHEMBL26054205 0.94 UBE2M (0.37) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL26054887 0.89 UBE2M (0.39) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL26053583 0.89 TPH1 (0.41) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL31595722 0.87 UBE2M (0.35) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL26055111 0.87 UBE2M (0.35) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL26053863 0.86 UBE2M (0.44) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL26054541 0.83 GRM5 (0.40) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL31596064 0.83 GRM5 (0.40) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL26054888 0.83 AOC3 (0.33) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL31595868 0.82 UBE2M (0.36) UBE2MDCUN1D1ALDH1A1GAAGFER

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