SCHEMBL29977911

SCHEMBL29977911

Cc1ccc(C(=O)N2CCc3cc(-c4noc(C(F)(F)F)n4)sc3C2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 17/20 0.44
HDAC6 Q9UBN7 7/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC2 Q92769 2/20 0.44
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G1B P04054 1/20 0.37
MAPT P10636 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL29978418 0.91 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC2PLA2G1B
SCHEMBL29977922 0.90 ALDH1A1 (0.47) HDAC4HDAC6HDAC8HDAC2LMNA
SCHEMBL29978522 0.85 MEN1 (0.41) HDAC4HDAC6HDAC8HDAC2KDM4E
SCHEMBL29978604 0.84 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978476 0.84 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2LMNA
SCHEMBL29978949 0.84 HDAC4 (0.41) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978728 0.84 HDAC6 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978301 0.84 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC2PLA2G1B
SCHEMBL29978650 0.83 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978352 0.83 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