SCHEMBL29978476

SCHEMBL29978476

O=C(c1ccc(Cl)cc1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.50
HDAC6 Q9UBN7 8/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC2 Q92769 2/20 0.50
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 3/20 0.39
MGLL Q99685 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL29978914 0.92 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2POLB
SCHEMBL29978604 0.92 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978418 0.91 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978213 0.91 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HTT
SCHEMBL29978650 0.91 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978646 0.91 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29977830 0.89 HDAC4 (0.47) HDAC4HDAC6HDAC8HDAC2MGLL
SCHEMBL29978179 0.89 HDAC4 (0.49) HDAC4HDAC6HDAC8HDAC2LMNA
SCHEMBL29979015 0.87 MEN1 (0.47) HDAC4HDAC6HDAC8HDAC2LMNA
SCHEMBL29978352 0.85 HDAC4 (0.44) 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