SCHEMBL7327895

SCHEMBL7327895

Cc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(OCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.48
IDH1 O75874 3/20 0.46
ACLY P53396 3/20 0.44
SLC22A12 Q96S37 2/20 0.44
JAK2 O60674 2/20 0.44
FABP4 P15090 1/20 0.43
MCL1 Q07820 1/20 0.43
NR1I2 O75469 1/20 0.43

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
SCHEMBL8542455 0.87 POLB (0.65) POLBGAATSHRIDH1JAK2
SCHEMBL8549186 0.86 ACLY (0.44) POLBGAATSHRIDH1ACLY
SCHEMBL8542581 0.84 POLB (0.59) POLBGAATSHR
SCHEMBL7330175 0.75 F2 (0.67) POLBGAA
SCHEMBL7334957 0.72 LMNA (0.50) POLB
SCHEMBL7327021 0.72 POLB (0.56) POLBGAATSHR
SCHEMBL7361453 0.72 MAPK1 (0.52) POLBGAATSHRIDH1
SCHEMBL8547104 0.72 KMT2A (0.60) POLBGAATSHR
SCHEMBL9864676 0.71 MAPT (0.53) JAK2FABP4
SCHEMBL7336279 0.70 F2 (0.54)

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