SCHEMBL7329809

SCHEMBL7329809

CN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(OCC(=O)Nc2ccncc2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.70
POLB P06746 5/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
LMNA P02545 2/20 0.54
NOD2 Q9HC29 1/20 0.53
RAB9A P51151 2/20 0.51
NR2F2 P24468 1/20 0.51
TSHR P16473 1/20 0.50
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.49
NAMPT P43490 1/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GALR3 O60755 1/20 0.49
STAT3 P40763 1/20 0.49

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
SCHEMBL8542584 0.90 KMT2A (0.60) F2POLBKMT2AMEN1LMNA
SCHEMBL7333893 0.89 KMT2A (0.68) F2POLBKMT2AMEN1LMNA
SCHEMBL7329347 0.87 KMT2A (0.70) F2POLBKMT2AMEN1LMNA
SCHEMBL8546878 0.82 F2 (1.00) F2
SCHEMBL7335396 0.82 F2 (0.60) F2POLBKMT2AMEN1LMNA
SCHEMBL8547111 0.82 KMT2A (0.66) F2POLBKMT2AMEN1LMNA
SCHEMBL7336072 0.79 LMNA (0.59) F2POLBKMT2AMEN1LMNA
SCHEMBL7334961 0.79 MAPT (0.62) POLBKMT2AMEN1LMNANOD2
SCHEMBL7329417 0.77 POLB (0.53) F2POLBKMT2AMEN1LMNA
SCHEMBL8545271 0.77 MAPT (0.63) POLBKMT2AMEN1LMNANOD2

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