SCHEMBL7327550

SCHEMBL7327550

O=C(O)COc1cc(Cl)cc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 2/20 0.45
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
PTPN7 P35236 1/20 0.44
PTGDR Q13258 1/20 0.43
LMNA P02545 1/20 0.43
F2 P00734 3/20 0.43
TBXA2R P21731 1/20 0.43
TBXAS1 P24557 1/20 0.43
ACLY P53396 1/20 0.43
GAA P10253 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL7332517 0.86 F2 (0.54) ALOX15ALDH1A1PSEN1PSEN2APH1B
SCHEMBL7336279 0.85 F2 (0.54) F2
SCHEMBL8544679 0.84 LMNA (0.58) TDP1ALOX15ALDH1A1PTPN7LMNA
SCHEMBL7333897 0.84 F2 (0.59) TDP1ALOX15ALDH1A1PTPN7LMNA
SCHEMBL7336072 0.80 LMNA (0.59) LMNAF2
SCHEMBL7336404 0.78 TDP1 (0.60) TDP1ALDH1A1ENPP3ENPP1LMNA
SCHEMBL5274567 0.77 ALOX15 (0.54) TDP1ALOX15ALDH1A1PTPN7LMNA
SCHEMBL4622013 0.76 TDP1 (0.64) TDP1ALDH1A1ENPP3ENPP1LMNA
SCHEMBL7329198 0.76 F2 (0.66) F2
SCHEMBL4622036 0.73 MEN1 (0.54) TDP1LMNAF2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
EP-0687253-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 1995-12-20 EP disclosed
WO-1994020467-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1994-09-15 WO disclosed