SCHEMBL8545860

SCHEMBL8545860

CCOC(=O)Nc1ccc(NC(=O)OCC)c2c1C(=O)c1ccncc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.51
MUS81 Q96NY9 1/20 0.51
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
PTPN1 P18031 1/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
BLM P54132 1/20 0.43
CASP7 P55210 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CDC25B P30305 1/20 0.41

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) CYP2C9CYP1A2CYP2C19SMN1; SMN2PTPN1
SCHEMBL7116909 0.77 PTPN1 (0.53) CYP2C9CYP1A2CYP2C19SMN1; SMN2PTPN1
SCHEMBL8541126 0.76 TDP2 (0.56) CYP2C9CYP1A2CYP2C19SMN1; SMN2PTPN1
SCHEMBL11569428 0.75 PTPN1 (0.51) CYP2C9CYP1A2CYP2C19SMN1; SMN2PTPN1
SCHEMBL19255633 0.74 CYP1A2 (0.50) CYP2C9CYP1A2CYP2C19SMN1; SMN2TP53
SCHEMBL4466882 0.74 ALDH1A1 (0.56) CYP2C9CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL8788434 0.73 MAOA (0.47) ECE1MUS81SMN1; SMN2TP53CYP3A4
SCHEMBL8788929 0.72 ECE1 (0.58) ECE1MUS81CYP2C9CYP1A2CYP2C19
SCHEMBL7766945 0.72 ECE1 (0.53) ECE1MUS81SMN1; SMN2TP53CYP3A4
SCHEMBL8788420 0.71 BLM (0.61) ECE1MUS81CYP1A2SMN1; SMN2TP53

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 8 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-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-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
EP-0503537-A1 6,9 Bis(substituted-amino)benzo-[g]isoquinoline-5,10-diones THE UNIVERSITY OF VERMONT (US) 1992-09-16 EP disclosed