SCHEMBL26054541

SCHEMBL26054541

O=C(c1cncs1)N1CCc2[nH]cnc2[C@H]1c1nc2cc(F)ccc2s1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.40
SPR P35270 4/20 0.35
UBE2M P61081 3/20 0.35
DCUN1D1 Q96GG9 3/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
TPH1 P17752 4/20 0.33

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
SCHEMBL31596064 1.00 GRM5 (0.40) GRM5SPRUBE2MDCUN1D1ALDH1A1
SCHEMBL31595708 0.90 TPH1 (0.38) GRM5UBE2MDCUN1D1TPH1
SCHEMBL26055113 0.86 SMN1; SMN2 (0.37) GRM5UBE2MDCUN1D1ALDH1A1TPH1
SCHEMBL31595722 0.85 UBE2M (0.35) SPRUBE2MDCUN1D1ALDH1A1GAA
SCHEMBL26055111 0.85 UBE2M (0.35) SPRUBE2MDCUN1D1ALDH1A1GAA
SCHEMBL26054887 0.84 UBE2M (0.39) SPRUBE2MDCUN1D1ALDH1A1GAA
SCHEMBL31596204 0.83 GRM5 (0.36) GRM5UBE2MDCUN1D1ALDH1A1TPH1
SCHEMBL26055110 0.83 UBE2M (0.38) SPRUBE2MDCUN1D1ALDH1A1GAA
SCHEMBL26054762 0.83 GRM5 (0.36) GRM5UBE2MDCUN1D1TPH1
SCHEMBL26053863 0.83 UBE2M (0.44) 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