SCHEMBL29382124

SCHEMBL29382124

O=S(=O)(Cc1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.53
HDAC6 Q9UBN7 17/20 0.53
HDAC1 Q13547 5/20 0.46
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL22531035 0.90 HDAC6 (0.49) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29379530 0.89 HDAC4 (0.45) HDAC4HDAC6HDAC1
SCHEMBL29381076 0.89 HDAC6 (0.52) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29381515 0.87 HDAC6 (0.46) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29378938 0.83 HDAC4 (0.51) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29381865 0.81 NPC1 (0.53) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29379441 0.79 HDAC6 (0.47) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29379332 0.79 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC8
SCHEMBL29381428 0.78 HDAC6 (0.42) HDAC4HDAC6HDAC1HDAC8
SCHEMBL22532099 0.77 HDAC6 (0.49) HDAC4HDAC6HDAC1HDAC8

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
EP-3953353-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP disclosed