SCHEMBL31336078

SCHEMBL31336078

FC(F)c1nnc(-c2ccc(COc3cccnc3)nc2)o1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.59
HDAC1 Q13547 2/20 0.43
GRM5 P41594 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
SCHEMBL26128261 1.00 HDAC6 (0.59) HDAC6HDAC1GRM5
SCHEMBL26528722 0.88 HDAC6 (0.59) HDAC6HDAC1
SCHEMBL26125149 0.87 HDAC6 (0.52) HDAC6HDAC1
SCHEMBL26530031 0.87 HDAC6 (0.50) HDAC6HDAC1
SCHEMBL31336066 0.87 HDAC6 (0.52) HDAC6HDAC1
SCHEMBL26530240 0.86 HDAC6 (0.52) HDAC6
SCHEMBL26529933 0.84 HDAC6 (0.55) HDAC6HDAC1
SCHEMBL26123927 0.84 HDAC6 (0.60) HDAC6HDAC1
SCHEMBL26529949 0.83 HDAC6 (0.55) HDAC6HDAC1
SCHEMBL30574365 0.83 HDAC6 (0.47) HDAC6GRM5

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-119212707-A Oxadiazole HDAC6 inhibitors and uses thereof 艾科尼佐治疗股份有限公司 2024-12-27 CN disclosed