SCHEMBL29977874

SCHEMBL29977874

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 17/20 0.45
HDAC6 Q9UBN7 10/20 0.45
HDAC8 Q9BY41 4/20 0.41
HDAC2 Q92769 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HDAC5 Q9UQL6 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL29978150 0.92 HDAC4 (0.45) HDAC4HDAC6HDAC8HDAC2HDAC5
SCHEMBL29978615 0.92 HDAC4 (0.43) HDAC4HDAC6HDAC8HDAC2HSP90AA1
SCHEMBL29978188 0.90 HDAC4 (0.41) HDAC4HDAC6HDAC8HDAC2HDAC5
SCHEMBL29978349 0.89 HDAC4 (0.41) HDAC4HDAC6HDAC8HDAC2HDAC5
SCHEMBL29978181 0.88 HDAC4 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC5
SCHEMBL29978332 0.88 HDAC4 (0.49) HDAC4HDAC6HDAC8HDAC2HDAC5
SCHEMBL29978440 0.88 HDAC4 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978497 0.87 HDAC4 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC5
SCHEMBL29978506 0.86 HDAC6 (0.42) HDAC4HDAC6HDAC8HDAC2HDAC5
SCHEMBL29978968 0.86 HDAC4 (0.42) HDAC4HDAC6HDAC8HDAC2HDAC5

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