SCHEMBL7335262

SCHEMBL7335262

O=C(CNc1cccc(OS(=O)(=O)c2ccccc2)c1)Nc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 10/20 0.49
GRK3 P35626 9/20 0.49
LMNA P02545 1/20 0.49
FAAH O00519 1/20 0.48
F2 P00734 3/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRK5 P34947 3/20 0.46
ROCK2 O75116 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8543121 0.83 F2 (0.61) FAAHF2MAPK1ALDH1A1
SCHEMBL7334463 0.83 LMNA (0.67) LMNATSHRMAPK1L3MBTL1MEN1
SCHEMBL7324955 0.82 FAAH (0.50) LMNAFAAHMAPK1ALDH1A1MEN1
SCHEMBL8547282 0.81 KMT2A (0.56) GRK2GRK3LMNAF2ALDH1A1
SCHEMBL3008207 0.77 FAAH (0.51) FAAHMAPK1ALDH1A1MEN1KMT2A
SCHEMBL11521888 0.77 CA1 (0.60) LMNAFAAHMAPK1ALDH1A1MEN1
SCHEMBL22446482 0.77 MAPT (0.60) LMNAFAAHTSHRMAPK1MEN1
SCHEMBL22187323 0.75 CA2 (0.57) LMNAFAAHTSHRMAPK1ALDH1A1
SCHEMBL29620069 0.75 CA2 (0.57) LMNAFAAHTSHRMAPK1ALDH1A1
SCHEMBL7336072 0.74 LMNA (0.59) LMNAF2MAPK1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1046710-C New 4-aminopyridines, process for preparing the same and medicaments containing the same LUOHE DIAGNOSTIC EQUIPMENT CO (DE) 1999-11-24 CN disclosed
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
CN-1119858-A Aminopyridines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1996-04-03 CN 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