SCHEMBL7330191

SCHEMBL7330191

O=C(O)COc1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.62
MAPK1 P28482 1/20 0.59
F2 P00734 2/20 0.58
PKM P14618 2/20 0.55
RECQL P46063 1/20 0.55
HTT P42858 1/20 0.53
HTR6 P50406 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TBXA2R P21731 1/20 0.52
TBXAS1 P24557 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BRAF P15056 1/20 0.52
IL1RN P18510 1/20 0.51
KEAP1 Q14145 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
ALOX15 P16050 1/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 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
SCHEMBL7325645 0.91 F2 (0.60) FABP1MAPK1F2PKMRECQL
SCHEMBL7335570 0.90 CYP19A1 (0.61) FABP1MAPK1F2PKMRECQL
SCHEMBL7324870 0.90 F2 (0.59) FABP1F2PKMRECQLHTT
SCHEMBL7324125 0.89 F2 (0.60) FABP1MAPK1F2PKMRECQL
SCHEMBL7327586 0.86 EPHX2 (0.58) FABP1MAPK1F2LMNABRAF
SCHEMBL7324171 0.85 NR3C1 (0.61) ALDH1A1LMNABRAFMEN1MAPT
SCHEMBL7325766 0.85 ALDH1A1 (0.58) FABP1F2PKMRECQLHTT
SCHEMBL11339354 0.84 MEN1 (0.67) PKMRECQLHTTALDH1A1TBXA2R
SCHEMBL7330175 0.83 F2 (0.67) F2PKMRECQLHTTTBXA2R
SCHEMBL7361453 0.82 MAPK1 (0.52) FABP1MAPK1F2PKMHTT

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