SCHEMBL9195997

SCHEMBL9195997

NC(=O)N(CCNc1ccc(NCCN(C(N)=O)c2ccccc2)c2c1C(=O)c1cnncc1C2=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
BLM P54132 2/20 0.47
NSD2 O96028 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TOP2B Q02880 2/20 0.40
ECE1 P42892 1/20 0.40
MUS81 Q96NY9 1/20 0.40
NPC1 O15118 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 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
SCHEMBL8547413 0.80 MEN1 (0.44) MEN1KMT2APOLBBLMNSD2
SCHEMBL9197459 0.80 ECE1 (0.42) MEN1KMT2APOLBBLMNSD2
SCHEMBL9197796 0.74 TOP2B (0.46) MEN1KMT2APOLBBLMNSD2
Hydrochloric Acid SCHEMBL9200372 0.72 TOP2B (0.46) MEN1KMT2APOLBBLMNSD2
SCHEMBL9195854 0.72 ECE1 (0.53) MEN1KMT2APOLBBLMNSD2
SCHEMBL9200709 0.71 TERT (0.49) MEN1KMT2APOLBBLMNSD2
SCHEMBL9511619 0.71 CA12 (0.51) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL9197269 0.71 ECE1 (0.48) MEN1KMT2APOLBBLMNSD2
SCHEMBL9195999 0.71 MEN1 (0.49) MEN1KMT2APOLBBLMNSD2
Hydrochloric Acid SCHEMBL9271897 0.70 ECE1 (0.52) MEN1KMT2APOLBBLMNSD2

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 1 patent. 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