SCHEMBL1387250

SCHEMBL1387250

O=c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(O)cccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 11/20 0.66
TNKS2 Q9H2K2 11/20 0.66
PARP1 P09874 10/20 0.66
PARP2 Q9UGN5 2/20 0.54
GUSB P08236 2/20 0.54
NLRP3 Q96P20 1/20 0.54
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
ADORA2B P29275 1/20 0.47
IDO1 P14902 1/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
MMP13 P45452 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL15775528 0.85 TNKS (0.66) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775567 0.84 PARP1 (0.61) TNKSTNKS2PARP1GUSBADORA2B
SCHEMBL15775574 0.82 TNKS (0.54) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775644 0.82 TNKS (0.60) TNKSTNKS2PARP1GUSBADORA2B
SCHEMBL15775263 0.81 TNKS (0.68) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775482 0.81 PARP1 (0.63) TNKSTNKS2PARP1GUSBADORA2B
SCHEMBL15775381 0.81 TNKS (0.63) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL15775691 0.81 TNKS (0.63) TNKSTNKS2PARP1
SCHEMBL15775320 0.81 TNKS (0.63) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775241 0.81 TNKS (0.63) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897915-B1 Quinazolinone compounds as chemotherapeutic agents UNIV NEWCASTLE VENTURES LTD (GB) 2003-01-22 EP claimed
US-6316455-B1 Method of improving the effectiveness of a cytotoxic drug or radiotherapy using a quinazolinone compound NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-11-13 US claimed
EP-0897915-A1 QUINAZOLINONE CONPOUNDS AS CHEMOTHERAPEUTIC AGENTS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-02-24 EP claimed
JP-H09510704-A 1997-10-28 JP claimed
EP-0749415-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1996-12-27 EP claimed
WO-1995024379-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1995-09-14 WO claimed
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed
EP-0897915-B1 Quinazolinone compounds as chemotherapeutic agents UNIV NEWCASTLE VENTURES LTD (GB) 2003-01-22 EP disclosed
US-6316455-B1 Method of improving the effectiveness of a cytotoxic drug or radiotherapy using a quinazolinone compound NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-11-13 US disclosed
US-6015827-A Benzoxazole-4-carboxamides and their use in inhibiting poly (adp-ribose) polymerase activity and improving cytotoxic effectiveness of cytotoxic drugs or radiotherapy NEWCASTLE UNIVERSITY VENTURES LIMITED 2000-01-18 US disclosed
EP-0897915-A1 QUINAZOLINONE CONPOUNDS AS CHEMOTHERAPEUTIC AGENTS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-02-24 EP disclosed
US-5756510-A POTENTIATE EFFECTS OF CYTOTOXIC DRUGS OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-26 US disclosed
EP-0749415-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024379-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1995-09-14 WO disclosed