SCHEMBL29978622

SCHEMBL29978622

O=C(Cc1ccc(Cl)cc1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.53
HDAC4 P56524 12/20 0.53
HDAC8 Q9BY41 4/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC1 Q13547 3/20 0.37
HDAC5 Q9UQL6 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
SCHEMBL29978027 0.93 HDAC6 (0.53) HDAC6HDAC4HDAC8HDAC2HDAC1
SCHEMBL29978080 0.93 HDAC4 (0.53) HDAC6HDAC4HDAC8HDAC2HDAC1
SCHEMBL29978458 0.92 HDAC6 (0.49) HDAC6HDAC4HDAC8HDAC2HDAC1
SCHEMBL29978189 0.92 HDAC6 (0.52) HDAC6HDAC4HDAC8HDAC2HDAC1
SCHEMBL29978732 0.92 HDAC4 (0.55) HDAC6HDAC4HDAC8HDAC2HDAC1
SCHEMBL29978371 0.92 HDAC4 (0.52) HDAC6HDAC4HDAC8HDAC2HDAC1
SCHEMBL29977787 0.90 HDAC6 (0.50) HDAC6HDAC4HDAC8HDAC2HDAC1
SCHEMBL29978569 0.90 HDAC4 (0.52) HDAC6HDAC4HDAC8HDAC2HDAC1
SCHEMBL29978268 0.89 ERCC1 (0.50) HDAC6HDAC4HDAC8HDAC2HDAC1
SCHEMBL29978148 0.89 HDAC4 (0.51) HDAC6HDAC4HDAC8HDAC2HDAC1

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