SCHEMBL7325645

SCHEMBL7325645

O=C(O)COc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.60
PTPN1 P18031 1/20 0.59
FABP1 P07148 1/20 0.58
GAA P10253 1/20 0.55
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
CACNA1H O95180 1/20 0.54
CACNA1B Q00975 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.52
PKM P14618 2/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AR P10275 1/20 0.52
HTT P42858 1/20 0.50
METAP2 P50579 1/20 0.50

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
SCHEMBL7330191 0.91 FABP1 (0.62) F2FABP1MAPK1PKMRECQL
SCHEMBL7324870 0.89 F2 (0.59) F2FABP1FFAR1FFAR4PKM
SCHEMBL7335570 0.89 CYP19A1 (0.61) F2FABP1MAPK1PKMRECQL
SCHEMBL7327586 0.88 EPHX2 (0.58) F2PTPN1FABP1FFAR1FFAR4
SCHEMBL7324125 0.85 F2 (0.60) F2FABP1GAAMAPK1PKM
SCHEMBL7324605 0.84 ALDH1A1 (0.59) F2GAACACNA1HCACNA1BL3MBTL1
SCHEMBL8549429 0.82 LMNA (0.58) F2PTPN1GAAALDH1A1LMNA
SCHEMBL7324171 0.82 NR3C1 (0.61) GAAFFAR1FFAR4ALDH1A1LMNA
SCHEMBL7330380 0.82 F2 (0.69) F2GAAPKMALDH1A1LMNA
SCHEMBL9661159 0.81 CYP19A1 (0.65) FFAR1L3MBTL1

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