SCHEMBL29978232

SCHEMBL29978232

Cn1nccc1C(=O)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 12/20 0.45
HDAC6 Q9UBN7 9/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC2 Q92769 2/20 0.45
ATM Q13315 1/20 0.41
HDAC1 Q13547 4/20 0.37
HDAC5 Q9UQL6 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL29978909 0.86 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978320 0.85 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978301 0.84 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978387 0.84 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978497 0.84 HDAC4 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978914 0.83 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29977967 0.83 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2ATM
SCHEMBL29978582 0.83 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978767 0.83 HDAC4 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29979466 0.82 HDAC6 (0.50) 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