SCHEMBL7329684

SCHEMBL7329684

Cc1cc(OCC(=O)Nc2ccncc2)cc(OS(=O)(=O)c2cccs2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.69
LMNA P02545 4/20 0.53
POLB P06746 3/20 0.53
STAT3 P40763 3/20 0.53
MAPT P10636 3/20 0.53
NOD2 Q9HC29 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GALR3 O60755 3/20 0.51
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7334269 0.85 LMNA (0.59) LMNAPOLBSTAT3MAPTNOD2
SCHEMBL7327289 0.83 LMNA (0.56) F2LMNAPOLBSTAT3MAPT
SCHEMBL7335749 0.82 F2 (0.59) F2LMNAPOLBALOX15TSHR
SCHEMBL7335280 0.81 F2 (0.60) F2LMNAPOLBSTAT3MAPT
SCHEMBL7337176 0.80 MEN1 (0.56) F2LMNAPOLBSTAT3MAPT
SCHEMBL7332258 0.78 F2 (0.71) F2LMNAPOLBSTAT3MAPT
SCHEMBL7329692 0.77 GALR3 (0.50) LMNAPOLBSTAT3MAPTNOD2
SCHEMBL7337435 0.75 LMNA (0.57) F2LMNAPOLBSTAT3MAPT
SCHEMBL14878178 0.75 F2 (0.67) F2LMNATSHRALDH1A1HPGD
SCHEMBL7371803 0.74 F2 (0.82) F2KMT2AKDM4ETSHRALDH1A1

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