SCHEMBL6530468

SCHEMBL6530468

CC(C)(C)OC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccc(-c3cnc(Cl)nc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.47
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
PTPN1 P18031 2/20 0.44
TRPV1 Q8NER1 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.43
STAT3 P40763 1/20 0.41

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
SCHEMBL6530466 0.90 ELANE (0.42) KCNQ3KCNQ2MEN1KMT2AKDM4E
SCHEMBL2830669 0.79 HDAC1 (0.47) KCNQ3KCNQ2MEN1KMT2ALMNA
SCHEMBL9680768 0.73 MAPT (0.71) SIRT2MEN1KMT2AKDM4EMAPT
SCHEMBL6530465 0.72 RAB9A (0.41) KCNQ3KCNQ2MEN1KMT2AKDM4E
SCHEMBL22453708 0.71 MAPT (0.64) SIRT2MEN1KMT2AKDM4EMAPT
SCHEMBL1315232 0.70 KCNQ3 (0.51) KCNQ3KCNQ2MEN1KMT2AKDM4E
SCHEMBL14516644 0.69 KCNQ3 (0.74) KCNQ3KCNQ2PTPN1MEN1KMT2A
SCHEMBL6525767 0.69 LIPE (0.43) NAMPT
SCHEMBL22453321 0.69 SIRT2 (0.56) SIRT2MEN1KMT2AMAPT
SCHEMBL4217099 0.69 ABCG2 (0.46) SIRT2KDM4ELMNAMAPT

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-1495002-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS Astrazeneca AB (SE) 2005-01-12 EP disclosed
WO-2003087057-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-23 WO disclosed