SCHEMBL12660341

SCHEMBL12660341

O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3c(-n4ccnc4)ccc(c23)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ OGA O60502 5/20 0.43
▸ HEXB P07686 5/20 0.43
▸ HEXA P06865 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ DYRK3 O43781 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ EPHA2 P29317 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ERCC1 P07992 1/20 0.40
▸ TSHR P16473 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
SCHEMBL12660332 0.94 SIRT1 (0.54) SIRT1L3MBTL1OGAHEXBHEXA
SCHEMBL12660681 0.91 SIRT1 (0.51) SIRT1L3MBTL1OGAHEXBHEXA
SCHEMBL12660337 0.91 SIRT1 (0.45) SIRT1KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL12660345 0.90 SIRT1 (0.50) SIRT1KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL12660340 0.90 SIRT1 (0.62) SIRT1OGAHEXBHEXADYRK3
SCHEMBL12660431 0.89 SIRT1 (0.48) SIRT1ALDH1A1LMNAL3MBTL1OGA
SCHEMBL12660234 0.88 KDM4E (0.40) SIRT1KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL12660471 0.86 MEN1 (0.47) SIRT1KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL12660352 0.86 SIRT1 (0.51) SIRT1OGAHEXBHEXADYRK3
SCHEMBL12660684 0.85 DYRK3 (0.46) SIRT1L3MBTL1OGAHEXBHEXA

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
US-7947839-B2 Heterocyclic-substituted bis-1,8 naphthalimide compounds, antibody drug conjugates, and methods of use GENENTECH, INC. (US) 2011-05-24 — — US disclosed
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