SCHEMBL7796477

SCHEMBL7796477

C/C=C1\CN(C(=O)c2csc(C)n2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
GFER P55789 1/20 0.36
HDAC6 Q9UBN7 6/20 0.36
TLR7 Q9NYK1 3/20 0.34
KCNH2 Q12809 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL7796473 0.82 L3MBTL1 (0.42) HDAC6HDAC3HDAC1
SCHEMBL7796483 0.78 HDAC6 (0.47) HDAC6MAPTGAAHDAC1
SCHEMBL1173793 0.76 GRM5 (0.42) GRM5GFERHDAC6TLR7KCNH2
SCHEMBL7795811 0.76 POLB (0.40) HDAC6KDM4EMAPTHDAC1
SCHEMBL7796728 0.76 HDAC1 (0.53) HDAC6HDAC3HDAC1
SCHEMBL7796324 0.74 HDAC6 (0.63) HDAC6HDAC3HDAC1
SCHEMBL7796971 0.74 ALDH1A1 (0.43) HDAC6MAPTTDP1HDAC3HDAC1
SCHEMBL7787409 0.74 HDAC6 (0.47) HDAC6KCNH2HDAC3HDAC1
SCHEMBL7796321 0.74 HDAC6 (0.50) HDAC6MAPK1HDAC3HDAC1
SCHEMBL7787411 0.73 HRH4 (0.48) MAPTGAA

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
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed