SCHEMBL8541126

SCHEMBL8541126

CCOC(=O)Nc1ccc(NC(=O)OCC)c2c1C(=O)c1cccnc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 13/20 0.56
IDO1 P14902 1/20 0.50
PTPN1 P18031 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
S100A4 P26447 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
SCHEMBL8540400 0.81 CYP1A2 (0.46) PTPN1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7116909 0.77 PTPN1 (0.53) PTPN1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8545860 0.76 ECE1 (0.51) PTPN1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11569428 0.75 PTPN1 (0.51) PTPN1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9850789 0.74 ALDH1A1 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17918928 0.73 TDP2 (0.62) TDP2IDO1
SCHEMBL1680541 0.72 ALDH1A1 (0.52) PTPN1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9952098 0.72 ALDH1A1 (0.60) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7215869 0.72 ALDH1A1 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL30908430 0.72 ALDH1A1 (0.49) PTPN1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0503537-B1 6,9 Bis(substituted-amino)benzo-[g]isoquinoline-5,10-diones UNIV VERMONT (US) 1997-05-14 EP disclosed
EP-0574433-B1 6,9-BIS(AMINO SUBSTITUTED)BENZO g]PHTHALAZINE-5,10-DIONES AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA (IT) 1995-05-31 EP disclosed
EP-0639183-A1 NITROGEN OXIDES OF AZA- AND DIAZA-ANTHRACENEDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1995-02-22 EP disclosed
EP-0575526-A4 1994-03-30 EP disclosed
WO-1994005641-A1 4-SUBSTITUTED 6,9,-BIS (SUBSTITUTED-AMINO) BENZO [g] ISOQUINOLINE-5,10,DIONES THE UNIVERSITY OF VERMONT (US) 1994-03-17 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
EP-0574433-A1 6,9-BIS(AMINO SUBSTITUTED)BENZO g]PHTHALAZINE-5,10-DIONES AS ANTITUMOR AGENTS. BOEHRINGER MANNHEIM ITALIA (IT) 1993-12-22 EP disclosed
WO-1992015307-A1 6,9-BIS(AMINO SUBSTITUTED)BENZO[g]PHTHALAZINE-5,10-DIONES AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-09-17 WO 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