SCHEMBL8604601

SCHEMBL8604601

NCCCNc1ccc(NCCCNC(=O)[C@H](N)Cc2ccccc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ TOP2B Q02880 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ CA2 P00918 1/20 0.43

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
SCHEMBL8604598 1.00 MEN1 (0.49) MEN1NSD2POLBBLMKMT2A
SCHEMBL8628866 0.91 MEN1 (0.51) MEN1NSD2POLBBLMKMT2A
SCHEMBL8628860 0.91 MEN1 (0.51) MEN1NSD2POLBBLMKMT2A
SCHEMBL8603791 0.86 MEN1 (0.52) MEN1NSD2POLBBLMKMT2A
SCHEMBL8699728 0.85 HDAC8 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL8602157 0.84 NSD2 (0.50) MEN1NSD2POLBBLMKMT2A
SCHEMBL8602144 0.84 NSD2 (0.50) MEN1NSD2POLBBLMKMT2A
SCHEMBL8601249 0.80 NSD2 (0.53) MEN1NSD2POLBBLMKMT2A
SCHEMBL12085491 0.80 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL14359605 0.80 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4MMP2

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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