SCHEMBL7330380

SCHEMBL7330380

O=C(COc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)Nc1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.69
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
AHR P35869 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 2/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 1/20 0.55
PKM P14618 2/20 0.55
NAMPT P43490 1/20 0.54
GALR3 O60755 2/20 0.54
STAT3 P40763 1/20 0.54
HSP90AA1 P07900 1/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.53
SGMS1 Q86VZ5 1/20 0.52

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
SCHEMBL7327269 0.91 F2 (0.66) F2KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL7359983 0.91 ROCK2 (0.62) F2KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL8548599 0.91 F2 (0.68) F2KMT2AMEN1KDM4ELMNA
SCHEMBL8543743 0.91 F2 (0.68) F2KMT2AMEN1KDM4ELMNA
SCHEMBL8544004 0.88 F2 (0.70) F2KMT2AMEN1KDM4ELMNA
SCHEMBL8548228 0.85 KMT2A (0.59) F2KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL7335988 0.85 MAPT (0.63) F2KMT2AMEN1KDM4ELMNA
SCHEMBL7357930 0.85 KMT2A (0.55) F2KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL7325645 0.82 F2 (0.60) F2SMN1; SMN2LMNAGAAPKM
Hydrochloric Acid SCHEMBL8542002 0.81 F2 (0.98) F2KMT2AMEN1GAA

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