SCHEMBL1387251

SCHEMBL1387251

O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2c(O)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 16/20 1.00
▸ TNKS2 Q9H2K2 16/20 1.00
▸ PARP1 P09874 15/20 1.00
▸ PARP2 Q9UGN5 3/20 0.69
▸ GUSB P08236 2/20 0.64
▸ NLRP3 Q96P20 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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
SCHEMBL15775530 0.85 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL7568904 0.84 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775576 0.82 TNKS (0.74) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL1387200 0.82 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL7576663 0.81 TNKS (1.00) TNKSTNKS2PARP1PARP2GUSB
SCHEMBL15775695 0.81 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL167751 0.81 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775244 0.81 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL7568427 0.81 TNKS (1.00) TNKSTNKS2PARP1PARP2KDM4E
SCHEMBL15775321 0.81 TNKS (1.00) 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 20 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
CN-1143358-A Benzamide analogs, useful as parp (ADP-ribosyltransferase, ADRPT) DNA repair enzyme inhibitors UNIV NEWCASTLE VENTURES LTD (GB) 1997-02-19 — — CN 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
EP-0966476-B1 Quinazolinone compounds UNIV NEWCASTLE VENTURES LTD (GB) 2002-09-04 — — EP disclosed
CN-1081624-C Benzamide analogs, useful as PARP (ADP-ribosyltransferase, ADRPT) DNA repair enzyme inhibitors NEWCASTLE UNIV VENTURE INVEST (GB) 2002-03-27 — — CN 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-0966476-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-12-29 — — EP disclosed
EP-0897915-A1 QUINAZOLINONE CONPOUNDS AS CHEMOTHERAPEUTIC AGENTS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-02-24 — — EP disclosed
WO-1998033802-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-08-06 — — WO disclosed
US-5756510-A POTENTIATE EFFECTS OF CYTOTOXIC DRUGS OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-26 — — US disclosed
CN-1143358-A Benzamide analogs, useful as parp (ADP-ribosyltransferase, ADRPT) DNA repair enzyme inhibitors UNIV NEWCASTLE VENTURES LTD (GB) 1997-02-19 — — CN 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
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