SCHEMBL24272008

SCHEMBL24272008

Cc1nc(CNC(=O)O)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 2/20 0.55
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ XDH P47989 1/20 0.43
▸ GFER P55789 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ EIF4E P06730 9/20 0.35
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL24272059 0.94 BPGM (0.54) BPGMMEN1KMT2AGAAXDH
SCHEMBL24271879 0.93 BPGM (0.66) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272105 0.92 BPGM (0.51) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272051 0.92 BPGM (0.51) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272002 0.92 BPGM (0.51) BPGMMEN1KMT2AGAAXDH
SCHEMBL24271860 0.92 BPGM (0.51) BPGMMEN1KMT2AGAAXDH
SCHEMBL24271805 0.91 BPGM (0.51) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272103 0.91 BPGM (0.57) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272046 0.91 BPGM (0.55) BPGMMEN1KMT2AGAAXDH
SCHEMBL26750614 0.90 BPGM (0.56) BPGMMEN1KMT2AGAAXDH

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-2022056447-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 — — WO disclosed
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