SCHEMBL8235490

SCHEMBL8235490

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CNCC3CCOCC3)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.46
KCNH2 Q12809 3/20 0.46
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
BRD4 O60885 1/20 0.38
TTK P33981 3/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL8240639 0.92 HDAC1 (0.46) HDAC1KCNH2CKS1BSKP1SKP2
SCHEMBL5317113 0.88 HDAC1 (0.51) HDAC1KCNH2BRD4TTK
SCHEMBL14182612 0.86 HDAC1 (0.49) HDAC1KCNH2CKS1BSKP1SKP2
SCHEMBL5317952 0.85 HDAC1 (0.63) HDAC1KCNH2
SCHEMBL5318030 0.81 HDAC1 (0.51) HDAC1KCNH2BRD4TTK
SCHEMBL3621805 0.80 HDAC1 (0.67) HDAC1KCNH2
SCHEMBL12841911 0.79 HDAC1 (0.54) HDAC1KCNH2
SCHEMBL8261906 0.78 HDAC1 (0.49) HDAC1KCNH2CKS1BSKP1SKP2
SCHEMBL8239914 0.78 HDAC1 (0.62) HDAC1KCNH2
SCHEMBL3610270 0.78 HDAC1 (0.45) HDAC1KCNH2KDM4ESMN1; SMN2

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