SCHEMBL29978503

SCHEMBL29978503

O=C(Cc1cccc(F)c1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.47
HDAC4 P56524 4/20 0.47
BRS3 P32247 5/20 0.43
GRM5 P41594 1/20 0.42
HDAC8 Q9BY41 5/20 0.39
HDAC1 Q13547 4/20 0.39
ENPP2 Q13822 1/20 0.38
GPR142 Q7Z601 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL29978371 0.91 HDAC4 (0.52) HDAC6HDAC4BRS3HDAC8HDAC1
SCHEMBL29978359 0.91 HDAC6 (0.48) HDAC6HDAC4BRS3HDAC8HDAC1
SCHEMBL29978027 0.91 HDAC6 (0.53) HDAC6HDAC4HDAC8HDAC1HDAC2
SCHEMBL29977787 0.90 HDAC6 (0.50) HDAC6HDAC4HDAC8HDAC1HDAC2
SCHEMBL29978276 0.88 MAPK1 (0.46) HDAC6HDAC4HDAC8HDAC1
SCHEMBL29978622 0.87 HDAC6 (0.53) HDAC6HDAC4HDAC8HDAC1HDAC2
SCHEMBL29978080 0.87 HDAC4 (0.53) HDAC6HDAC4HDAC8HDAC1HDAC2
SCHEMBL29978458 0.86 HDAC6 (0.49) HDAC6HDAC4HDAC8HDAC1HDAC2
SCHEMBL29978200 0.86 HDAC6 (0.42) HDAC6HDAC4HDAC8HDAC1HDAC2
SCHEMBL29978189 0.86 HDAC6 (0.52) HDAC6HDAC4HDAC8HDAC1HDAC2

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