SCHEMBL9197342

SCHEMBL9197342

CN(C)CCNc1ccc(NC(CO)CO)c2c1C(=O)c1cnncc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
BRCA1 P38398 1/20 0.39
HIF1A Q16665 1/20 0.39
EHMT2 Q96KQ7 4/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
NSD2 O96028 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TOP1 P11387 1/20 0.38
ECE1 P42892 1/20 0.38
MUS81 Q96NY9 1/20 0.38
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9197796 0.87 TOP2B (0.46) TOP2BSMN1; SMN2BRCA1HIF1AEHMT2
Hydrochloric Acid SCHEMBL9200372 0.86 TOP2B (0.46) TOP2BSMN1; SMN2BRCA1HIF1AEHMT2
SCHEMBL9195948 0.83 NQO1 (0.50) TOP2BSMN1; SMN2BRCA1HIF1AEHMT2
SCHEMBL9200579 0.82 TOP2B (0.60) TOP2BSMN1; SMN2BRCA1HIF1AEHMT2
SCHEMBL9197269 0.81 ECE1 (0.48) TOP2BSMN1; SMN2BRCA1HIF1AEHMT2
Hydrochloric Acid SCHEMBL9197780 0.80 ECE1 (0.47) TOP2BSMN1; SMN2BRCA1HIF1AEHMT2
SCHEMBL9196125 0.79 SMN1; SMN2 (0.51) TOP2BSMN1; SMN2BRCA1HIF1AMEN1
SCHEMBL29634147 0.77 ECE1 (0.55) TOP2BSMN1; SMN2BRCA1HIF1AEHMT2
SCHEMBL8788346 0.77 ECE1 (0.55) TOP2BSMN1; SMN2BRCA1HIF1AEHMT2
SCHEMBL31218590 0.76 MALT1 (0.62) TOP2BSMN1; SMN2BRCA1HIF1AEHMT2

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