SCHEMBL8601249

SCHEMBL8601249

NCCCNc1ccc(NCCCNC(=O)CN)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ TOP2B Q02880 1/20 0.52
▸ NPC1 O15118 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ FGB P02675 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 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
SCHEMBL8600843 0.90 MEN1 (0.56) NSD2MEN1POLBBLMKMT2A
SCHEMBL8603851 0.86 TOP2B (0.62) NSD2MEN1POLBBLMKMT2A
SCHEMBL8602603 0.85 MEN1 (0.58) NSD2MEN1POLBBLMKMT2A
SCHEMBL8602157 0.84 NSD2 (0.50) NSD2MEN1POLBBLMKMT2A
SCHEMBL8602144 0.84 NSD2 (0.50) NSD2MEN1POLBBLMKMT2A
SCHEMBL16344394 0.84 TOP2B (0.64) NSD2MEN1POLBBLMKMT2A
SCHEMBL11141088 0.81 CYP19A1 (0.60) NSD2MEN1POLBBLMKMT2A
SCHEMBL8604598 0.80 MEN1 (0.49) NSD2MEN1POLBBLMKMT2A
SCHEMBL8604601 0.80 MEN1 (0.49) NSD2MEN1POLBBLMKMT2A
SCHEMBL111327 0.80 TOP2B (0.55) NSD2MEN1POLBBLMKMT2A

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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