SCHEMBL29979110

SCHEMBL29979110

O=C(Oc1ccc(Cl)cc1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.39
HDAC6 Q9UBN7 7/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC2 Q92769 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
LIPE Q05469 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
HDAC1 Q13547 3/20 0.37
POLB P06746 1/20 0.36
HDAC5 Q9UQL6 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL29978368 0.92 HDAC4 (0.40) HDAC4HDAC6HDAC8HDAC2LIPE
SCHEMBL29978108 0.92 HDAC4 (0.40) HDAC4HDAC6HDAC8HDAC2LIPE
SCHEMBL29978914 0.87 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978400 0.87 HDAC6 (0.45) HDAC4HDAC6HDAC8HDAC1POLB
SCHEMBL29978734 0.87 HDAC6 (0.39) HDAC4HDAC6HDAC8HDAC2BRD4
SCHEMBL29978373 0.86 HDAC4 (0.39) HDAC4HDAC6HDAC8HDAC2LIPE
SCHEMBL29978968 0.85 HDAC4 (0.42) HDAC4HDAC6HDAC8HDAC2BRD4
SCHEMBL29978903 0.85 HDAC4 (0.40) HDAC4HDAC6HDAC8HDAC2LIPE
SCHEMBL29978564 0.85 HDAC4 (0.41) HDAC4HDAC6HDAC8HDAC2LIPE
SCHEMBL29978321 0.84 MEN1 (0.47) HDAC4HDAC6HDAC8HDAC2

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