SCHEMBL29978432

SCHEMBL29978432

CC(C)CNC(=O)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.48
HDAC6 Q9UBN7 10/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC1 Q13547 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 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
SCHEMBL29978150 0.90 HDAC4 (0.45) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL29978388 0.88 HDAC4 (0.41) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL29978178 0.88 HDAC4 (0.42) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL29978352 0.85 HDAC4 (0.44) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL29978793 0.84 HDAC6 (0.42) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL29978428 0.84 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC1HDAC3
SCHEMBL29978854 0.84 HDAC4 (0.42) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL29978655 0.83 HDAC4 (0.40) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL29977956 0.83 HDAC4 (0.42) HDAC4HDAC6HDAC2HDAC8HDAC1
SCHEMBL29977897 0.82 HDAC4 (0.41) HDAC4HDAC6HDAC2HDAC8HDAC1

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