SCHEMBL2986272

SCHEMBL2986272

Cc1nc(N2CCc3[nH]c4ccc(-c5cccc(N)c5)cc4c3C2)ncc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.46
BAZ2B Q9UIF8 7/20 0.44
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
CFTR P13569 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 2/20 0.36
PABPC1 P11940 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GBA1 P04062 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL2970698 0.90 BAZ2B (0.54) BAZ2BALDH1A1MAPTGAACASP1
SCHEMBL2978681 0.89 SIRT2 (0.44) SIRT2BAZ2BALDH1A1MAPTGAA
SCHEMBL2970394 0.88 SIRT2 (0.44) SIRT2BAZ2BALDH1A1MAPTGAA
SCHEMBL2973482 0.88 SIRT2 (0.44) SIRT2BAZ2BALDH1A1MAPTGAA
SCHEMBL2980535 0.88 SIRT2 (0.44) SIRT2BAZ2BALDH1A1MAPTGAA
SCHEMBL2978359 0.87 DHODH (0.44) SIRT2BAZ2BALDH1A1POLBKDM4E
SCHEMBL2980633 0.87 SIRT2 (0.43) SIRT2BAZ2BALDH1A1MAPTGAA
SCHEMBL2975810 0.86 SIRT2 (0.42) SIRT2BAZ2BALDH1A1MAPTGAA
SCHEMBL5374096 0.86 BAZ2B (0.51) SIRT2BAZ2B
SCHEMBL2966428 0.85 SIRT2 (0.40) SIRT2BAZ2BALDH1A1MAPTGAA

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
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed