SCHEMBL7326753

SCHEMBL7326753

Cc1cc(NS(=O)(=O)c2ccccc2F)cc(OCC(=O)Nc2ccncc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
F2 P00734 1/20 0.53
LMNA P02545 4/20 0.51
STAT3 P40763 3/20 0.51
NOD2 Q9HC29 2/20 0.51
GALR3 O60755 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KAT6A Q92794 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL8547767 0.90 MAPT (0.56) POLBKDM4EGAAMAPTALDH1A1
SCHEMBL7327021 0.90 POLB (0.56) POLBKDM4EGAAMAPTALDH1A1
SCHEMBL8545458 0.89 MAPT (0.55) POLBKDM4EGAAMAPTALDH1A1
SCHEMBL8547066 0.88 SLC22A12 (0.53) POLBKDM4EGAAMAPTALDH1A1
SCHEMBL8548405 0.86 MAPT (0.56) POLBKDM4EGAAMAPTALDH1A1
SCHEMBL7334623 0.86 MAPT (0.56) POLBKDM4EGAAMAPTALDH1A1
SCHEMBL8542772 0.86 F2 (0.68) POLBKDM4EGAAMAPTF2
SCHEMBL7335988 0.85 MAPT (0.63) POLBKDM4EGAAMAPTALDH1A1
SCHEMBL8542671 0.85 MAPT (0.54) POLBKDM4EGAAMAPTALDH1A1
SCHEMBL8548466 0.83 F2 (0.76) F2

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