SCHEMBL29978200

SCHEMBL29978200

O=C(Cc1ccc(F)cc1F)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.42
HDAC4 P56524 4/20 0.42
DPP4 P27487 9/20 0.42
DPP8 Q6V1X1 8/20 0.42
DPP7 Q9UHL4 7/20 0.42
DPP9 Q86TI2 6/20 0.40
HDAC8 Q9BY41 5/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 1/20 0.37

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
SCHEMBL29978202 1.00 HDAC6 (0.42) HDAC6HDAC4DPP4DPP8DPP7
SCHEMBL29978207 0.92 HDAC6 (0.42) HDAC6HDAC4DPP4DPP8DPP7
SCHEMBL29978052 0.91 HDAC4 (0.43) HDAC6HDAC4DPP4DPP8DPP7
SCHEMBL29978027 0.89 HDAC6 (0.53) HDAC6HDAC4DPP4DPP8DPP7
SCHEMBL29978268 0.86 ERCC1 (0.50) HDAC6HDAC4DPP4DPP8DPP9
SCHEMBL29978503 0.86 HDAC6 (0.47) HDAC6HDAC4HDAC8HDAC1HDAC2
SCHEMBL29977787 0.86 HDAC6 (0.50) HDAC6HDAC4DPP4DPP8DPP7
SCHEMBL29977772 0.86 HDAC6 (0.43) HDAC6HDAC4DPP4DPP8DPP7
SCHEMBL29978177 0.85 MEN1 (0.41) HDAC6HDAC4HDAC8HDAC1HDAC2
SCHEMBL29978363 0.85 HDAC6 (0.42) HDAC6HDAC4HDAC8HDAC1HDAC2

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