SCHEMBL29978968

SCHEMBL29978968

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 15/20 0.42
HDAC6 Q9UBN7 10/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC2 Q92769 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
HDAC1 Q13547 3/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL29978506 0.90 HDAC6 (0.42) HDAC4HDAC6HDAC8HDAC2BRD4
SCHEMBL29978077 0.90 HDAC4 (0.53) HDAC4HDAC6HDAC8HDAC2BRD4
SCHEMBL29978497 0.89 HDAC4 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978368 0.88 HDAC4 (0.40) HDAC4HDAC6HDAC8HDAC2BRD4
SCHEMBL29978415 0.88 HDAC4 (0.39) HDAC4HDAC6HDAC8HDAC2BRD4
SCHEMBL29978168 0.87 HDAC4 (0.39) HDAC4HDAC6HDAC8HDAC2BRD4
SCHEMBL29979466 0.87 HDAC6 (0.50) HDAC4HDAC6HDAC8HDAC2BRD4
SCHEMBL29978958 0.87 HDAC4 (0.40) HDAC4HDAC6HDAC8HDAC2BRD4
SCHEMBL29978002 0.86 HDAC4 (0.42) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978181 0.86 HDAC4 (0.44) 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