SCHEMBL7766931

SCHEMBL7766931

O=C(O)c1ccncc1C(=O)c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
KDM4C Q9H3R0 14/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KEAP1 Q14145 1/20 0.44
GAA P10253 1/20 0.42
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL7772555 0.94 CES2 (0.47) CES2CES1KDM4CALDH1A1L3MBTL1
SCHEMBL7804698 0.87 TGFBR1 (0.47) KDM4CALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7823403 0.83 CES2 (0.52) CES2CES1ALDH1A1KDM4EMEN1
SCHEMBL7804828 0.82 DHODH (0.43) KDM4CALDH1A1L3MBTL1
SCHEMBL7812042 0.81 TGFBR1 (0.47) KDM4CALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL7843027 0.80 LTA4H (0.58) KDM4CALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL27673772 0.78 CES2 (0.74) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL7804812 0.76 DHODH (0.43) KDM4CALDH1A1L3MBTL1
SCHEMBL30316868 0.76 KDM4C (0.53) KDM4CALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL229353 0.76 KDM4C (0.53) KDM4CALDH1A1L3MBTL1KDM4EMEN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752857-B1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS (2-AMINOETHYL)AMINO]BENZO g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT NOVUSPHARMA SPA (IT) 2001-07-25 EP claimed
EP-0752857-A1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS (2-AMINOETHYL)AMINO]BENZO g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-15 EP claimed
WO-1995026189-A1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS[(2-AMINOETHYL)AMINO]BENZO[g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT BOEHRINGER MANNHEIM ITALIA, S.P.A. (US) 1995-10-05 WO claimed
EP-0752857-B1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS (2-AMINOETHYL)AMINO]BENZO g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT NOVUSPHARMA SPA (IT) 2001-07-25 EP disclosed
EP-0750619-B1 HETERO-ANNULATED INDAZOLES NOVUSPHARMA SPA (IT) 2001-05-30 EP disclosed
EP-0662076-B1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY UNIV VERMONT (US) 2001-04-11 EP disclosed
US-6034092-A ANTITUMOR, ANTICANCER AGENTS NOVUSPHARMA S.P.A. (IT) 2000-03-07 US disclosed
EP-0876369-A1 2- 2- (2-HYDROXYETHYL)AMINO]ETHYL]-5- 2-METHYLAMINO)ETHYL]AMINO]INDAZOLO 4,3-gh]ISOQUINOLIN-6(2H)-ONE AS ANTITUMOR AGENT BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1998-11-11 EP disclosed
EP-0639183-B1 NITROGEN OXIDES OF AZA- AND DIAZA-ANTHRACENEDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA (IT) 1998-07-01 EP disclosed
US-5717099-A Method of synthesis for 6,9-bis((2-aminoethyl)amino)benzo g!isoquinoline-5,10-dione and its dimaleate salt BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1998-02-10 US disclosed
EP-0503537-B1 6,9 Bis(substituted-amino)benzo-[g]isoquinoline-5,10-diones UNIV VERMONT (US) 1997-05-14 EP disclosed
US-5506232-A 6,9-bis[(2-aminoethyl)amino]benzo[g]isoquinoline-5,10-dione and its dimaleate salt BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1996-04-09 US disclosed
WO-1995026189-A1 AN IMPROVED METHOD OF SYNTHESIS FOR 6,9-BIS[(2-AMINOETHYL)AMINO]BENZO[g]ISOQUINOLINE-5,10-DIONE AND ITS DIMALEATE SALT BOEHRINGER MANNHEIM ITALIA, S.P.A. (US) 1995-10-05 WO disclosed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed
EP-0662076-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1995-07-12 EP disclosed
WO-1994006795-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1994-03-31 WO disclosed
EP-0575526-A1 6,9 BIS(SUBSTITUTED-AMINO)BENZO g]ISOQUINOLINE-5,10-DIONES THE UNIVERSITY OF VERMONT (US) 1993-12-29 EP disclosed
WO-1992015300-A1 6,9 BIS(SUBSTITUTED-AMINO)BENZO[g]ISOQUINOLINE-5,10-DIONES THE UNIVERSITY OF VERMONT (US) 1992-09-17 WO disclosed
WO-1992015566-A1 NITROGEN OXIDES OF AZA- AND DIAZA-ANTHRACENEDIONE DERIVATIVES AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-09-17 WO disclosed
EP-0503537-A1 6,9 Bis(substituted-amino)benzo-[g]isoquinoline-5,10-diones THE UNIVERSITY OF VERMONT (US) 1992-09-16 EP disclosed