SCHEMBL7360099

SCHEMBL7360099

C=CCN(c1cccc(OCC(=O)Nc2ccncc2)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 2/20 0.51
GALR3 O60755 2/20 0.50
STAT3 P40763 1/20 0.50
F2 P00734 1/20 0.48
HPGD P15428 1/20 0.48
HSP90AA1 P07900 1/20 0.48
NAMPT P43490 1/20 0.48
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL8545052 0.88 MAPT (0.58) LMNAMAPTMEN1KMT2APOLB
SCHEMBL8547733 0.87 MAPT (0.71) LMNAMAPTMEN1KMT2APOLB
SCHEMBL8549781 0.83 F2 (0.71) F2RAB9A
SCHEMBL7334512 0.83 ESR1 (0.55) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL7329347 0.80 KMT2A (0.70) LMNAMAPTMEN1KMT2APOLB
SCHEMBL7334463 0.78 LMNA (0.67) LMNAMEN1KMT2APOLBGALR3
SCHEMBL7335613 0.78 RAB9A (0.51) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL7334961 0.75 MAPT (0.62) LMNAMAPTMEN1KMT2APOLB
SCHEMBL7327269 0.75 F2 (0.66) LMNAMAPTMEN1KMT2AGALR3
SCHEMBL8547111 0.74 KMT2A (0.66) LMNAMAPTMEN1KMT2APOLB

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