SCHEMBL29978154

SCHEMBL29978154

CCCNC(=O)CN1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.42
HDAC6 Q9UBN7 11/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
NCOR2 Q9Y618 1/20 0.41
LMNA P02545 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL29978251 0.87 HDAC4 (0.47) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL29978055 0.86 HDAC4 (0.43) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL29978341 0.85 HDAC4 (0.48) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL29978370 0.85 S1PR1 (0.42) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL29978607 0.85 HDAC6 (0.43) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL29978125 0.84 KMT2A (0.48) HDAC4
SCHEMBL29978753 0.83 HDAC4 (0.46) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL29978931 0.83 HDAC4 (0.46) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL29978399 0.83 HDAC4 (0.45) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL29978794 0.83 HDAC4 (0.43) HDAC4HDAC6HDAC1HDAC2HDAC8

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