SCHEMBL29978301

SCHEMBL29978301

Cc1ccc(C(=O)N2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 15/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC2 Q92769 1/20 0.52
PLA2G1B P04054 1/20 0.41
MAPT P10636 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
HDAC1 Q13547 1/20 0.38
MGLL Q99685 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
SCHEMBL29978418 0.93 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC2PLA2G1B
SCHEMBL29977967 0.91 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2PRMT5
SCHEMBL29978914 0.91 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2PRMT5
SCHEMBL29978582 0.91 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2PRMT5
SCHEMBL29978909 0.90 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2PRMT5
SCHEMBL29978387 0.90 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2PRMT5
SCHEMBL29978536 0.90 HDAC4 (0.49) HDAC4HDAC6HDAC8HDAC2MAPT
SCHEMBL29978176 0.90 GRM5 (0.45) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978396 0.89 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2PRMT5
SCHEMBL29978028 0.88 HDAC4 (0.47) HDAC4HDAC6HDAC8HDAC2PRMT5

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