SCHEMBL7326548

SCHEMBL7326548

COc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.60
LMNA P02545 5/20 0.58
PGR P06401 2/20 0.58
ALDH1A1 P00352 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CNR1 P21554 2/20 0.55
CNR2 P34972 2/20 0.55
MAPT P10636 4/20 0.52
ESR1 P03372 1/20 0.50
CYP11B1 P15538 1/20 0.49
HIF1A Q16665 2/20 0.48
EPAS1 Q99814 2/20 0.48
PKM P14618 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 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
SCHEMBL7335926 0.88 NR3C1 (0.64) NR3C1LMNAPGRALDH1A1NPSR1
SCHEMBL8543953 0.85 NR3C1 (0.58) NR3C1LMNAPGRALDH1A1NPSR1
SCHEMBL7326995 0.82 NR3C1 (0.58) NR3C1LMNAPGRALDH1A1CNR1
SCHEMBL7328298 0.82 PGR (0.53) LMNAPGRMAPT
SCHEMBL7335030 0.82 PGR (0.63) NR3C1LMNAPGRALDH1A1NPSR1
SCHEMBL7326459 0.81 PGR (0.62) NR3C1LMNAPGRALDH1A1NPSR1
SCHEMBL8549210 0.78 NR3C1 (0.64) NR3C1LMNAPGRALDH1A1NPSR1
SCHEMBL9703044 0.77 LMNA (0.60) NR3C1LMNAALDH1A1NPSR1CNR1
SCHEMBL6553024 0.76 PKM (0.75) NR3C1LMNAALDH1A1MAPTESR1
SCHEMBL7335037 0.75 NR3C1 (0.58) NR3C1LMNAPGRALDH1A1NPSR1

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