SCHEMBL8628866

SCHEMBL8628866

NCCNc1ccc(NCCNC(=O)[C@H](N)Cc2ccccc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ NSD2 O96028 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ TOP2B Q02880 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ CA2 P00918 1/20 0.44
▸ ECE1 P42892 1/20 0.43
▸ MUS81 Q96NY9 1/20 0.43
▸ SLC15A1 P46059 1/20 0.42
▸ ANPEP P15144 1/20 0.41
▸ RNPEP Q9H4A4 1/20 0.41
▸ DNPEP Q9ULA0 1/20 0.41
▸ ALPI P09923 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
SCHEMBL8628860 1.00 MEN1 (0.51) MEN1NSD2POLBBLMKMT2A
SCHEMBL8604598 0.91 MEN1 (0.49) MEN1NSD2POLBBLMKMT2A
SCHEMBL8604601 0.91 MEN1 (0.49) MEN1NSD2POLBBLMKMT2A
SCHEMBL8701184 0.83 MEN1 (0.52) MEN1NSD2POLBBLMKMT2A
SCHEMBL8701169 0.83 MEN1 (0.52) MEN1NSD2POLBBLMKMT2A
SCHEMBL8603791 0.81 MEN1 (0.52) MEN1NSD2POLBBLMKMT2A
SCHEMBL8600843 0.79 MEN1 (0.56) MEN1NSD2POLBBLMKMT2A
SCHEMBL8699728 0.79 HDAC8 (0.41) MMP2
SCHEMBL21010316 0.78 SLC15A1 (0.64) MMP2CA2SLC15A1ANPEPRNPEP
SCHEMBL29886736 0.78 MEN1 (0.63) MEN1NSD2POLBBLMKMT2A

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
US-5733880-A ANTITUMOR AGENTS NAPIER UNIVERSITY VENTURES LIMITED (GB) 1998-03-31 — — US disclosed
EP-0721447-B1 ANTHRACENE DERIVATIVES FOR USE AS ANTICANCER AGENT OR DYE UNIV NAPIER (GB) 1998-02-25 — — EP disclosed
WO-1995009149-A1 ANTHRACENE DERIVATIVES FOR USE AS ANTICANCER AGENT OR DYE NAPIER UNIVERSITY VENTURES LIMITED (GB) 1995-04-06 — — WO disclosed
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