SCHEMBL8408063

SCHEMBL8408063

CCc1cc(CNC(=O)c2cccc(C(N)=O)c2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.42
HDAC6 Q9UBN7 2/20 0.40
HTT P42858 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TTR P02766 1/20 0.39
BCHE P06276 3/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
FSHR P23945 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8043959 0.95 HDAC6 (0.43) HDAC6HTTHDAC2HDAC8TTR
SCHEMBL8408950 0.92 TTR (0.41) HDAC6HDAC2HDAC8TTRLMNA
SCHEMBL8056945 0.89 TTR (0.44) HDAC6HDAC2HDAC8TTRALDH1A1
SCHEMBL8406921 0.88 NPC1 (0.46) MAP3K7HDAC6HTTHDAC2HDAC8
SCHEMBL8408911 0.85 NR1H4 (0.40) MAP3K7HDAC6HTTHDAC2HDAC8
SCHEMBL8409285 0.85 MAP3K7 (0.39) MAP3K7HDAC6HTTHDAC2HDAC8
SCHEMBL8406942 0.85 MAP3K7 (0.39) MAP3K7HDAC6HTTHDAC2HDAC8
SCHEMBL9408839 0.83 NPC1 (0.41) TTRALDH1A1KDM4ELMNAMAPT
SCHEMBL8043981 0.82 NPC1 (0.50) HDAC6HTTHDAC2HDAC8TTR
SCHEMBL8061717 0.80 TTR (0.42) HDAC6HTTHDAC2HDAC8TTR

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-5935900-A BENZOTRIAZOLE COMPOUND, DIPHENYLSULFONE ELECTRON ACCEPTOR OJL PAPER CO., LTD. (JP) 1999-08-10 US disclosed