SCHEMBL7334269

SCHEMBL7334269

Cc1cc(OCC(=O)Nc2ccncc2)cc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
POLB P06746 3/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
STAT3 P40763 3/20 0.56
MAPT P10636 3/20 0.56
NOD2 Q9HC29 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GALR3 O60755 3/20 0.54
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSP90AA1 P07900 1/20 0.51
NAMPT P43490 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 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
SCHEMBL7337435 0.90 LMNA (0.57) LMNAPOLBKDM4ESTAT3MAPT
SCHEMBL7336072 0.89 LMNA (0.59) LMNAPOLBSTAT3MAPTNOD2
SCHEMBL7334463 0.88 LMNA (0.67) LMNAPOLBSTAT3NOD2MEN1
SCHEMBL7327289 0.88 LMNA (0.56) LMNAPOLBKDM4EGAASTAT3
SCHEMBL7335280 0.86 F2 (0.60) LMNAPOLBKDM4EGAASTAT3
SCHEMBL7337176 0.85 MEN1 (0.56) LMNAPOLBKDM4EGAASTAT3
SCHEMBL7329684 0.85 F2 (0.69) LMNAPOLBKDM4EGAASTAT3
SCHEMBL8542772 0.84 F2 (0.68) LMNAPOLBKDM4EGAASTAT3
SCHEMBL7332258 0.83 F2 (0.71) LMNAPOLBKDM4EGAASTAT3
SCHEMBL8541190 0.81 F2 (0.72)

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