SCHEMBL7329692

SCHEMBL7329692

Cc1cc(OCC(=O)Nc2ccncc2)cc(OS(=O)(=O)C2=CC=CCC2=S)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 2/20 0.50
LMNA P02545 5/20 0.49
STAT3 P40763 3/20 0.49
POLB P06746 3/20 0.49
NOD2 Q9HC29 2/20 0.49
MAPT P10636 2/20 0.49
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL8542601 0.83 F2 (0.61)
SCHEMBL7334269 0.79 LMNA (0.59) GALR3LMNASTAT3POLBNOD2
SCHEMBL7327289 0.78 LMNA (0.56) GALR3LMNASTAT3POLBNOD2
SCHEMBL7329684 0.77 F2 (0.69) GALR3LMNASTAT3POLBNOD2
SCHEMBL7335280 0.76 F2 (0.60) GALR3LMNASTAT3POLBNOD2
SCHEMBL7337176 0.76 MEN1 (0.56) GALR3LMNASTAT3POLBNOD2
SCHEMBL8542204 0.74 MEN1 (0.34) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL7332258 0.73 F2 (0.71) GALR3LMNASTAT3POLBNOD2
SCHEMBL8546849 0.71 F2 (0.65)
SCHEMBL6977989 0.70 LMNA (0.62) GALR3LMNASTAT3POLBNOD2

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