SCHEMBL26053863

SCHEMBL26053863

O=C(c1nc2cc(F)ccc2s1)N1CCc2[nH]cnc2[C@H]1c1nc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 5/20 0.44
DCUN1D1 Q96GG9 5/20 0.44
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.39
TPH1 P17752 4/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE10A Q9Y233 1/20 0.37
RBP4 P02753 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL26053265 0.92 HPGD (0.46) UBE2MDCUN1D1ALDH1A1HPGDRAB9A
SCHEMBL26054887 0.87 UBE2M (0.39) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL26055111 0.86 UBE2M (0.35) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL31595722 0.86 UBE2M (0.35) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL26055110 0.86 UBE2M (0.38) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL26053858 0.86 UBE2M (0.42) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL31699119 0.84 RAB9A (0.42) ALDH1A1HPGDRAB9APKMTSHR
SCHEMBL31700078 0.84 RAB9A (0.42) ALDH1A1HPGDRAB9APKMTSHR
SCHEMBL31595868 0.84 UBE2M (0.36) UBE2MDCUN1D1ALDH1A1GAAGFER
SCHEMBL26058533 0.84 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