SCHEMBL26053709

SCHEMBL26053709

O=C(c1ccccc1)N1CCc2[nH]cnc2[C@H]1c1nc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 10/20 0.44
DCUN1D1 Q96GG9 10/20 0.44
LMNA P02545 4/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 4/20 0.43
TPH1 P17752 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
AOC3 Q16853 1/20 0.41
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.39

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 0.90 HPGD (0.46) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL26053584 0.89 TPH1 (0.39) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL26054535 0.88 AOC3 (0.39) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL26053718 0.86 TP53 (0.45) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL26053578 0.85 TPH1 (0.39) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL26053581 0.85 TPH1 (0.43) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL26053269 0.85 CASP3 (0.44) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL26053579 0.85 TPH1 (0.41) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL26054199 0.85 HRH4 (0.41) TPH1
SCHEMBL31595866 0.85 ALDH1A1 (0.42) UBE2MDCUN1D1LMNATP53MAPT

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