SCHEMBL14463500

SCHEMBL14463500

C=c1c2ccc(N3CCOCC3)c3cccc(c(=O)n1CC(=O)NCCCNC(=O)CN1C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C1=O)c32

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.55
▸ HDAC1 Q13547 3/20 0.55
▸ HDAC6 Q9UBN7 3/20 0.55
▸ HDAC11 Q96DB2 2/20 0.55
▸ NCOR2 Q9Y618 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC10 Q969S8 1/20 0.49
▸ MEN1 O00255 14/20 0.48
▸ KMT2A Q03164 14/20 0.48
▸ LMNA P02545 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ L3MBTL1 Q9Y468 6/20 0.47
▸ MAPK1 P28482 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ CRHBP P24387 4/20 0.47
▸ CRHR2 Q13324 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ POLB P06746 2/20 0.47

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
SCHEMBL12660393 0.89 HDAC6 (0.66) HDAC3HDAC1HDAC6HDAC11NCOR2
SCHEMBL12660409 0.83 HDAC6 (0.64) HDAC3HDAC1HDAC6HDAC11NCOR2
SCHEMBL12660571 0.80 HDAC3 (0.67) HDAC3HDAC1HDAC6HDAC11NCOR2
SCHEMBL12660392 0.78 HDAC6 (0.69) HDAC3HDAC1HDAC6HDAC11NCOR2
SCHEMBL14463951 0.77 HDAC3 (0.50) HDAC3HDAC1HDAC6HDAC11NCOR2
SCHEMBL12660521 0.76 MEN1 (0.64) HDAC3HDAC1HDAC6HDAC11NCOR2
SCHEMBL12660336 0.74 HDAC6 (0.66) HDAC3HDAC1HDAC6HDAC11NCOR2
SCHEMBL28198225 0.71 HDAC6 (0.71) HDAC3HDAC1HDAC6HDAC11NCOR2
SCHEMBL12660394 0.71 HDAC6 (0.65) HDAC3HDAC1HDAC6HDAC11NCOR2
SCHEMBL14463503 0.71 MEN1 (0.62) HDAC3HDAC1HDAC6HDAC11NCOR2

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
WO-2007064345-A9 HETEROCYCLIC-SUBSTITUTED BIS-1,8 NAPHTHALIMIDE COMPOUNDS, ANTIBODY DRUG CONJUGATES, AND METHODS OF USE GENENTECH INC (US) 2007-07-12 — — WO disclosed
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