SCHEMBL7500358

SCHEMBL7500358

Cc1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.60
TNKS2 Q9H2K2 4/20 0.60
PARP1 P09874 2/20 0.60
PARP2 Q9UGN5 2/20 0.58
GUSB P08236 2/20 0.58
NLRP3 Q96P20 1/20 0.58
MMP2 P08253 4/20 0.53
MMP9 P14780 4/20 0.53
MMP8 P22894 4/20 0.53
MMP13 P45452 3/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
NPBWR1 P48145 3/20 0.50
MEN1 O00255 2/20 0.50

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
SCHEMBL13828863 0.85 TNKS (0.57) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL8989109 0.80 TNKS2 (0.57) TNKSTNKS2PARP1RAB9AKMT2A
SCHEMBL14303513 0.77 ALDH1A1 (0.62) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL7496014 0.77 POLB (0.72) TNKSTNKS2PARP1NPC1RAB9A
SCHEMBL13828668 0.76 TNKS (0.56) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775530 0.75 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL5619043 0.74 TNKS (0.49) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775356 0.74 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL30665826 0.74 TNKS (0.75) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL2152867 0.73 TNKS (0.57) TNKSTNKS2PARP1PARP2GUSB

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-1094929-C Acetamide derivative, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-27 CN disclosed
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
CN-1186487-A Acetamide derivatives, process for producing the same, and medicinal composition containing the same DAINIPPON PHARMACEUTICAL CO (JP) 1998-07-01 CN disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed