SCHEMBL29978418

SCHEMBL29978418

Cc1ccc(C(=O)N2CCc3cc(-c4noc(C(F)(F)F)n4)sc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 17/20 0.52
HDAC6 Q9UBN7 7/20 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
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
SCHEMBL29978301 0.93 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC2PLA2G1B
SCHEMBL29978476 0.91 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978604 0.91 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29977911 0.91 HDAC4 (0.44) HDAC4HDAC6HDAC8HDAC2PLA2G1B
SCHEMBL29978650 0.90 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978213 0.90 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978646 0.90 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978179 0.90 HDAC4 (0.49) HDAC4HDAC6HDAC8HDAC2MAPT
SCHEMBL29977830 0.88 HDAC4 (0.47) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL29978688 0.87 RAB9A (0.46) HDAC4HDAC6HDAC8HDAC2MAPT

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