SCHEMBL29978085

SCHEMBL29978085

O=C(c1ccnc(F)c1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.43
HDAC6 Q9UBN7 10/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC1 Q13547 3/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GRM5 P41594 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
SCHEMBL29978646 0.89 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978650 0.89 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978604 0.88 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978213 0.87 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978476 0.86 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978198 0.86 HDAC6 (0.47) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978418 0.85 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978706 0.85 HPGD (0.49) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978135 0.85 HDAC4 (0.41) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978464 0.84 HDAC4 (0.40) 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