SCHEMBL5317952

SCHEMBL5317952

Nc1ccccc1NC(=O)c1ccc(-c2ncc(CNCC3CCOCC3)cc2Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.63
KCNH2 Q12809 3/20 0.63
HDAC2 Q92769 1/20 0.47
HDAC3 O15379 1/20 0.45

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
SCHEMBL3621805 0.95 HDAC1 (0.67) HDAC1KCNH2HDAC2
SCHEMBL12841911 0.93 HDAC1 (0.54) HDAC1KCNH2HDAC3
SCHEMBL8239914 0.91 HDAC1 (0.62) HDAC1KCNH2HDAC2HDAC3
SCHEMBL5317113 0.90 HDAC1 (0.51) HDAC1KCNH2
SCHEMBL2075891 0.88 HDAC1 (0.64) HDAC1KCNH2HDAC3
SCHEMBL5314720 0.87 HDAC1 (0.63) HDAC1KCNH2HDAC2HDAC3
SCHEMBL8235490 0.85 HDAC1 (0.46) HDAC1KCNH2
SCHEMBL3622271 0.85 HDAC1 (0.70) HDAC1KCNH2HDAC2
SCHEMBL4890516 0.84 HDAC1 (0.67) HDAC1KCNH2HDAC2
SCHEMBL3619788 0.83 HDAC1 (0.69) HDAC1KCNH2HDAC2HDAC3

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
WO-2007071961-A1 BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2007071961-A1 BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed