SCHEMBL9195262

SCHEMBL9195262

CC(C)(C)OC(=O)NCCNc1ccc(NCCNC(=O)OC(C)(C)C)c2c1C(=O)c1cnncc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.52
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
BCHE P06276 1/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CDK2 P24941 1/20 0.43
LATS1 O95835 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
MEN1 O00255 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40

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
SCHEMBL9192525 0.93 STK17B (0.48) MALT1DDB1CRBNCA12CA1
SCHEMBL9528225 0.92 MALT1 (0.46) MALT1DDB1CRBNBCHEPDE3B
SCHEMBL9200110 0.92 MALT1 (0.48) MALT1DDB1CRBNBCHEPDE3B
SCHEMBL9528234 0.90 MALT1 (0.44) MALT1DDB1CRBNBCHEPDE3B
SCHEMBL7766945 0.88 ECE1 (0.53) MALT1DDB1CRBNBCHEPDE3B
SCHEMBL9197731 0.84 MALT1 (0.40) MALT1DDB1CRBNBCHEPDE3B
Maleic Acid SCHEMBL7772576 0.83 ECE1 (0.63) MALT1DDB1CRBNBCHEPDE3B
Trifluoroacetic Acid SCHEMBL7772559 0.83 ECE1 (0.50) MALT1DDB1CRBNBCHEPDE3B
SCHEMBL9197474 0.79 KMT2A (0.43) CA12CA9MEN1NSD2POLB
SCHEMBL18086441 0.77 MALT1 (0.55) MALT1DDB1CRBNBCHECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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