SCHEMBL26054887

SCHEMBL26054887

O=C(c1ncc(Cl)s1)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2s1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
SPR P35270 5/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
TPH1 P17752 8/20 0.34
TRPV1 Q8NER1 1/20 0.34
DYRK1A Q13627 1/20 0.31

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
SCHEMBL26055110 0.89 UBE2M (0.38) UBE2MDCUN1D1SPRALDH1A1GAA
SCHEMBL26053579 0.89 TPH1 (0.41) UBE2MDCUN1D1ALDH1A1TPH1
SCHEMBL26053863 0.87 UBE2M (0.44) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL31595722 0.86 UBE2M (0.35) UBE2MDCUN1D1SPRALDH1A1GAA
SCHEMBL26055111 0.86 UBE2M (0.35) UBE2MDCUN1D1SPRALDH1A1GAA
SCHEMBL31596064 0.84 GRM5 (0.40) UBE2MDCUN1D1SPRALDH1A1GAA
SCHEMBL26054541 0.84 GRM5 (0.40) UBE2MDCUN1D1SPRALDH1A1GAA
SCHEMBL26054386 0.84 SPR (0.38) UBE2MDCUN1D1SPRALDH1A1GAA
SCHEMBL31595868 0.83 UBE2M (0.36) UBE2MDCUN1D1SPRALDH1A1GAA
SCHEMBL26058533 0.83 UBE2M (0.36) UBE2MDCUN1D1SPRALDH1A1GAA

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