SCHEMBL5320029

SCHEMBL5320029

COC(=O)c1cnc(N2CCc3[nH]c4ccc(-c5cccc(NC(C)=O)c5)cc4c3C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KIT P10721 1/20 0.41
BAZ2B Q9UIF8 3/20 0.40
CHEK1 O14757 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DYRK1A Q13627 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
MAP4K1 Q92918 1/20 0.40
FGFR1 P11362 1/20 0.40
NEK2 P51955 1/20 0.40
MAPK15 Q8TD08 1/20 0.40
MAP4K4 O95819 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2978492 0.90 HDAC1 (0.45) SIRT2TRPV1BAZ2BCHEK1DYRK1A
SCHEMBL2980504 0.90 CYP17A1 (0.43) SIRT2TRPV1BAZ2BMEN1KMT2A
SCHEMBL2986268 0.87 BAZ2B (0.46) SIRT2BAZ2BMEN1KMT2AKDM4E
SCHEMBL2973481 0.86 SIRT2 (0.44) SIRT2TRPV1BAZ2BMEN1KMT2A
SCHEMBL2970389 0.86 SIRT2 (0.43) SIRT2BAZ2BMEN1KMT2AKDM4E
SCHEMBL2978678 0.85 SIRT2 (0.43) SIRT2TRPV1BAZ2BMEN1KMT2A
SCHEMBL2980531 0.85 SIRT2 (0.43) SIRT2KITBAZ2BMEN1KMT2A
SCHEMBL2980630 0.84 SIRT2 (0.42) SIRT2BAZ2BMEN1KMT2AKDM4E
SCHEMBL2975804 0.84 SIRT2 (0.42) SIRT2BAZ2BMEN1KMT2AKDM4E
SCHEMBL5374091 0.84 BAZ2B (0.53) SIRT2BAZ2BMEN1KMT2AKDM4E

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-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed