SCHEMBL6328351

SCHEMBL6328351

Cc1ccc(-c2noc(CCCC(=O)NCC(C)(C)CNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC1 Q13547 2/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 5/20 0.47
USP2 O75604 2/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.42

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
SCHEMBL6327432 0.95 MAPT (0.54) GAAMAPTLMNAUSP2TSHR
SCHEMBL6326416 0.94 ALDH1A1 (0.50) GAAHDAC2HDAC8HDAC1MAPT
SCHEMBL6334365 0.93 HDAC1 (0.48) GAAHDAC2HDAC8HDAC1MAPT
SCHEMBL6331317 0.93 HDAC2 (0.48) GAAHDAC2HDAC8HDAC1MAPT
SCHEMBL6328273 0.92 LMNA (0.48) GAAHDAC2HDAC8HDAC1MAPT
SCHEMBL5073454 0.92 HDAC1 (0.51) GAAHDAC2HDAC8HDAC1MAPT
SCHEMBL6328582 0.92 HDAC1 (0.51) GAAHDAC2HDAC8HDAC1MAPT
SCHEMBL6327919 0.90 HDAC1 (0.42) GAAHDAC2HDAC8HDAC1MAPT
SCHEMBL6326400 0.89 ALDH1A1 (0.52) GAAMAPTLMNAUSP2TSHR
SCHEMBL6327916 0.89 NPSR1 (0.43) GAAHDAC2HDAC8HDAC1MAPT

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed