SCHEMBL28860581

SCHEMBL28860581

COc1ccc(CSSc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.53
HDAC1 Q13547 8/20 0.53
HDAC8 Q9BY41 7/20 0.53
HDAC4 P56524 9/20 0.49
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HDAC5 Q9UQL6 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL18795778 0.83 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC4HTT
SCHEMBL7296994 0.83 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC4MAPT
SCHEMBL25314309 0.79 HDAC4 (0.53) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL19709022 0.77 HDAC4 (0.60) HDAC6HDAC1HDAC8HDAC4
SCHEMBL29381997 0.77 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC4HTT
SCHEMBL22530783 0.76 HDAC4 (0.53) HDAC6HDAC1HDAC4
SCHEMBL29392869 0.75 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL25368759 0.75 HDAC6 (0.66) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20291961 0.74 HDAC4 (0.57) HDAC6HDAC1HDAC8HDAC4
SCHEMBL28929902 0.74 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC4TDP1

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
CN-108347936-A Kill microorganism oxadiazole derivatives 先正达参股股份有限公司 2018-07-31 CN disclosed