SCHEMBL26055697

SCHEMBL26055697

O=C(c1nnc(-c2ccccc2)s1)N1CCc2[nH]cnc2[C@H]1c1nc2ccccc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 5/20 0.38
MAPT P10636 3/20 0.37
PDE10A Q9Y233 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
UBE2M P61081 6/20 0.37
DCUN1D1 Q96GG9 6/20 0.37
LMNA P02545 4/20 0.37
TP53 P04637 3/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
AOC3 Q16853 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL26053476 0.88 TPH1 (0.42) TPH1MAPTMEN1CYP1A2CYP3A4
SCHEMBL26053265 0.87 HPGD (0.46) TPH1MAPTPDE10AUBE2MDCUN1D1
SCHEMBL26054535 0.87 AOC3 (0.39) TPH1MAPTPDE10AUBE2MDCUN1D1
SCHEMBL26054666 0.86 TPH1 (0.38) TPH1MAPTPDE10AMEN1CYP1A2
SCHEMBL26054669 0.85 TPH1 (0.38) TPH1MAPTPDE10AMEN1CYP1A2
SCHEMBL26053709 0.85 UBE2M (0.44) TPH1MAPTMEN1CYP1A2CYP3A4
SCHEMBL26053711 0.84 TPH1 (0.41) TPH1MAPTUBE2MDCUN1D1LMNA
SCHEMBL31675781 0.83 AOC3 (0.38) AOC3
SCHEMBL26053579 0.83 TPH1 (0.41) TPH1MAPTUBE2MDCUN1D1LMNA
SCHEMBL26053269 0.83 CASP3 (0.44) TPH1MAPTUBE2MDCUN1D1LMNA

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