SCHEMBL4670939

SCHEMBL4670939

O=[N+]([O-])c1ccc(N2CC[N]CC2)nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.77
ALDH1A1 P00352 4/20 0.74
LMNA P02545 1/20 0.74
ALOX12 P18054 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
ATM Q13315 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.58
NPBWR1 P48145 1/20 0.58
MCHR1 Q99705 1/20 0.58
CRBN Q96SW2 3/20 0.56
POLB P06746 1/20 0.54
MAPK1 P28482 2/20 0.52
NPY2R P49146 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PANK3 Q9H999 1/20 0.49

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
SCHEMBL3558802 0.94 MAPT (0.78) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL940256 0.87 MAPT (0.93) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL238818 0.87 MAPT (1.00) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29739445 0.87 MAPT (0.93) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1981875 0.85 MAPT (1.00) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL854731 0.83 MAPT (0.74) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL341002 0.83 ALDH1A1 (1.00) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL670110 0.83 MAPT (0.74) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2440832 0.83 MAPT (0.74) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3650629 0.83 MAPT (0.74) MAPTALDH1A1LMNAALOX12NPSR1

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-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed