SCHEMBL8549186

SCHEMBL8549186

O=C(O)COc1cc(Cl)cc(NS(=O)(=O)c2ccccc2Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 9/20 0.44
IDH1 O75874 1/20 0.44
AR P10275 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FABP4 P15090 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
SCHEMBL7334957 0.86 LMNA (0.50) POLBMEN1KMT2AALDH1A1
SCHEMBL7327895 0.86 POLB (0.55) ACLYIDH1POLBGAATSHR
SCHEMBL7361453 0.74 MAPK1 (0.52) IDH1POLBGAATSHRMEN1
SCHEMBL8542455 0.73 POLB (0.65) IDH1POLBGAATSHRALDH1A1
SCHEMBL8542581 0.71 POLB (0.59) POLBGAATSHRMEN1KMT2A
SCHEMBL7330175 0.68 F2 (0.67) POLBGAA
SCHEMBL7336279 0.68 F2 (0.54)
SCHEMBL7330777 0.68 PGR (0.58) TSHRALDH1A1FABP4
SCHEMBL5274567 0.67 ALOX15 (0.54) TSHRKMT2AALDH1A1
SCHEMBL7335570 0.67 CYP19A1 (0.61) ARALDH1A1

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
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed