SCHEMBL29978734

SCHEMBL29978734

O=C(Oc1ccccc1Cl)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC1 Q13547 3/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
HDAC4 P56524 9/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC5 Q9UQL6 2/20 0.37
DGAT1 O75907 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
SCHEMBL29978374 0.88 RAB9A (0.43) HDAC6HDAC8HDAC1HDAC5
SCHEMBL29979110 0.87 HDAC4 (0.39) HDAC6HDAC8HDAC1BRD4CREBBP
SCHEMBL29978771 0.83 POLB (0.46) HDAC6HDAC8HDAC1HDAC4HDAC5
SCHEMBL29978363 0.83 HDAC6 (0.42) HDAC6HDAC8HDAC1HDAC4HDAC2
SCHEMBL29978968 0.83 HDAC4 (0.42) HDAC6HDAC8HDAC1BRD4CREBBP
SCHEMBL29978108 0.83 HDAC4 (0.40) HDAC6HDAC8HDAC1BRD4CREBBP
SCHEMBL29978368 0.83 HDAC4 (0.40) HDAC6HDAC8HDAC1BRD4CREBBP
SCHEMBL29978387 0.82 HDAC4 (0.50) HDAC6HDAC8HDAC1HDAC4HDAC2
SCHEMBL29978914 0.81 HDAC4 (0.50) HDAC6HDAC8HDAC1HDAC4HDAC2
SCHEMBL29978077 0.81 HDAC4 (0.53) HDAC6HDAC8HDAC1BRD4CREBBP

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