SCHEMBL9192525

SCHEMBL9192525

CC(C)(C)OC(=O)NCCCNc1ccc(NCCCNC(=O)OC(C)(C)C)c2c1C(=O)c1cnncc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.48
STK17A Q9UEE5 1/20 0.48
METAP2 P50579 1/20 0.45
MALT1 Q9UDY8 1/20 0.45
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 2/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CYP3A4 P08684 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9195262 0.93 MALT1 (0.52) STK17BSTK17AMETAP2MALT1CA1
SCHEMBL9528225 0.85 MALT1 (0.46) STK17BSTK17AMALT1CA1CA2
SCHEMBL9200110 0.85 MALT1 (0.48) STK17BSTK17AMETAP2MALT1CA1
SCHEMBL9528234 0.84 MALT1 (0.44) STK17BSTK17AMETAP2MALT1CA1
SCHEMBL7766945 0.81 ECE1 (0.53) STK17BSTK17AMALT1CA1CA2
SCHEMBL12658894 0.81 MALT1 (0.53) METAP2MALT1CA1CA2CA12
SCHEMBL9197731 0.78 MALT1 (0.40) MALT1CA1CA2CA12CA9
SCHEMBL12658883 0.77 MALT1 (0.54) METAP2MALT1CA1CA2CA12
Trifluoroacetic Acid SCHEMBL7772559 0.76 ECE1 (0.50) METAP2MALT1CA1CA2CA12
Maleic Acid SCHEMBL7772576 0.76 ECE1 (0.63) METAP2MALT1CA1CA2CA12

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 2 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
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