SCHEMBL29379455

SCHEMBL29379455

CCCSCc1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.43
HDAC1 Q13547 7/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC4 P56524 13/20 0.42
HDAC5 Q9UQL6 5/20 0.41
MCHR1 Q99705 1/20 0.41
HDAC7 Q8WUI4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL29381895 0.86 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL22531679 0.86 HDAC4 (0.44) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL29381106 0.84 NPC1 (0.55) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL29381997 0.82 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL29381423 0.81 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL22531053 0.80 NPC1 (0.54) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL29382535 0.80 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL29379441 0.80 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL29381568 0.80 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL29381981 0.80 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC4HDAC5

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 claimed