SCHEMBL29978002

SCHEMBL29978002

CC(C)C(=O)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 18/20 0.42
HDAC6 Q9UBN7 9/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC1 Q13547 3/20 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
SCHEMBL29978958 0.91 HDAC4 (0.40) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978497 0.89 HDAC4 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978126 0.88 HDAC4 (0.41) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978440 0.87 HDAC4 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978247 0.87 HDAC4 (0.42) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978160 0.87 HDAC4 (0.39) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29979466 0.87 HDAC6 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978968 0.86 HDAC4 (0.42) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978181 0.86 HDAC4 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29977970 0.84 HDAC4 (0.41) HDAC4HDAC6HDAC8HDAC2HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022234470-A1 NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-11-10 WO claimed
WO-2022234470-A1 NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-11-10 WO disclosed