SCHEMBL29997666

SCHEMBL29997666

Cc1cc(-c2noc(C(F)(F)F)n2)ccc1C(N)=S

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.51
HDAC6 Q9UBN7 9/20 0.51
HDAC8 Q9BY41 2/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL20680863 1.00 HDAC4 (0.51) HDAC4HDAC6HDAC8HDAC1
SCHEMBL20680769 0.87 HDAC4 (0.57) HDAC4HDAC6HDAC8HDAC1
SCHEMBL19384968 0.82 HDAC4 (0.59) HDAC4HDAC6HDAC8HDAC1
SCHEMBL19042602 0.80 HDAC4 (0.53) HDAC4HDAC6HDAC8
SCHEMBL2888002 0.80 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC1
SCHEMBL19864362 0.77 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC1
Hydrochloric Acid SCHEMBL19859065 0.76 HDAC4 (0.49) HDAC4HDAC6HDAC8HDAC1
SCHEMBL23212884 0.76 HDAC4 (0.73) HDAC4HDAC6HDAC8HDAC1
SCHEMBL29625964 0.75 HDAC4 (0.64) HDAC4HDAC6HDAC8HDAC1
SCHEMBL20528695 0.75 HDAC4 (0.57) HDAC4HDAC6HDAC8HDAC1

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-115209737-A Fungicidal compositions 先正达农作物保护股份公司 2022-10-18 CN disclosed