SCHEMBL26025565

SCHEMBL26025565

O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)CC(N1CCOCC1)CO2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.49
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
RORC P51449 1/20 0.43
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
PKLR P30613 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL31553442 0.89 ALDH1A1 (0.48) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL26028993 0.89 HPGD (0.39) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL26029034 0.89 HPGD (0.39) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL26029033 0.89 HPGD (0.39) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL25362119 0.86 SMN1; SMN2 (0.44) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL25364405 0.85 NPC1 (0.58) PKMALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL26025709 0.81 PKM (0.50) PKMKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL26025892 0.79 TSHR (0.38) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL25362146 0.79 NPC1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1GAAPOLB
SCHEMBL25363508 0.78 SMN1; SMN2 (0.38) KDM4EALDH1A1SMN1; SMN2L3MBTL1GAA

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-2023154499-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-17 WO disclosed