SCHEMBL6692379

SCHEMBL6692379

O=C(Nc1ccccc1)C1=CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ATR Q13535 1/20 0.49
CTSK P43235 1/20 0.47
SIRT1 Q96EB6 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL1750567 0.85 HDAC2 (0.53) HDAC2HDAC8HDAC6HDAC4HDAC1
SCHEMBL1750441 0.80 HDAC2 (0.51) HDAC2HDAC8HDAC6HDAC4HDAC1
SCHEMBL12235510 0.79 L3MBTL1 (0.50) HDAC2HDAC8HDAC6HDAC4HDAC1
SCHEMBL13739258 0.78 HDAC2 (0.64) HDAC2HDAC8HDAC6HDAC4HDAC1
SCHEMBL26696780 0.76 HDAC2 (0.47) HDAC2HDAC8HDAC6HDAC4HDAC1
SCHEMBL20817404 0.76 CTSK (0.49) HDAC2HDAC8HDAC6HDAC4HDAC1
SCHEMBL29273743 0.76 EPHX1 (0.57) HDAC2HDAC8HDAC6HDAC4CTSK
SCHEMBL27498988 0.76 HDAC4 (0.45) HDAC2HDAC8HDAC6HDAC4HDAC1
SCHEMBL23975137 0.75 CTSK (0.48) HDAC2HDAC8HDAC6HDAC4HDAC1
SCHEMBL14880140 0.74 HDAC2 (1.00) HDAC2HDAC8HDAC6HDAC4HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed