SCHEMBL26054535

SCHEMBL26054535

O=C(c1ncc(-c2ccccc2)s1)N1CCc2[nH]cnc2[C@H]1c1nc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
TPH1 P17752 5/20 0.38
UBE2M P61081 8/20 0.38
DCUN1D1 Q96GG9 8/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE10A Q9Y233 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 3/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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 0.88 HPGD (0.46) AOC3TPH1UBE2MDCUN1D1LMNA
SCHEMBL26053709 0.88 UBE2M (0.44) AOC3TPH1UBE2MDCUN1D1LMNA
SCHEMBL26053579 0.87 TPH1 (0.41) TPH1UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL26053581 0.87 TPH1 (0.43) AOC3TPH1UBE2MDCUN1D1LMNA
SCHEMBL26055697 0.87 TPH1 (0.38) AOC3TPH1UBE2MDCUN1D1LMNA
SCHEMBL26054666 0.85 TPH1 (0.38) AOC3TPH1UBE2MDCUN1D1LMNA
SCHEMBL26054669 0.84 TPH1 (0.38) AOC3TPH1UBE2MDCUN1D1LMNA
SCHEMBL26053269 0.84 CASP3 (0.44) TPH1UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL26053711 0.83 TPH1 (0.41) AOC3TPH1UBE2MDCUN1D1LMNA
SCHEMBL26053476 0.83 TPH1 (0.42) AOC3TPH1UBE2MDCUN1D1LMNA

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