SCHEMBL7329316

SCHEMBL7329316

O=C(COc1cccc(NS(=O)(=O)c2cccc3ccccc23)c1)Nc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
GALR3 O60755 2/20 0.59
STAT3 P40763 1/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.52
PRNP P04156 1/20 0.52
F2 P00734 2/20 0.52
HSP90AA1 P07900 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BRAF P15056 1/20 0.48
PGR P06401 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL8544004 0.86 F2 (0.70) LMNAGALR3STAT3MEN1KMT2A
SCHEMBL7327269 0.84 F2 (0.66) LMNAGALR3STAT3MEN1KMT2A
SCHEMBL7330777 0.83 PGR (0.58) BRAFPGRKDM4EFABP1ALDH1A1
SCHEMBL8546329 0.82 F2 (0.73) F2BRAFPGRFABP1
SCHEMBL7330380 0.81 F2 (0.69) LMNAGALR3STAT3MEN1KMT2A
SCHEMBL8543743 0.80 F2 (0.68) LMNAGALR3STAT3MEN1KMT2A
SCHEMBL8548599 0.80 F2 (0.68) LMNAGALR3MEN1KMT2APOLB
SCHEMBL7336019 0.78 BRAF (0.51) POLBSMN1; SMN2BRAFPGRFABP1
SCHEMBL7336884 0.78 GALR3 (0.64) LMNAGALR3STAT3MEN1KMT2A
SCHEMBL7359983 0.78 ROCK2 (0.62) LMNAMEN1KMT2APOLBF2

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