SCHEMBL29978080

SCHEMBL29978080

O=C(Cc1ccc(C(F)(F)F)cc1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.53
HDAC6 Q9UBN7 10/20 0.53
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC1 Q13547 3/20 0.39
CNR1 P21554 2/20 0.39
STAT3 P40763 1/20 0.39
HDAC2 Q92769 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 1/20 0.38
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

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
SCHEMBL29978622 0.93 HDAC6 (0.53) HDAC4HDAC6HDAC8HDAC1HDAC2
SCHEMBL29978027 0.93 HDAC6 (0.53) HDAC4HDAC6DPP4DPP8DPP9
SCHEMBL29978732 0.92 HDAC4 (0.55) HDAC4HDAC6HDAC8HDAC1HDAC2
SCHEMBL29978189 0.92 HDAC6 (0.52) HDAC4HDAC6HDAC8HDAC1HDAC2
SCHEMBL29978371 0.92 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC1HDAC2
SCHEMBL29977787 0.90 HDAC6 (0.50) HDAC4HDAC6DPP4DPP8DPP7
SCHEMBL29978569 0.90 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC1HDAC2
SCHEMBL29978148 0.89 HDAC4 (0.51) HDAC4HDAC6HDAC8HDAC1HDAC2
SCHEMBL29978458 0.89 HDAC6 (0.49) HDAC4HDAC6DPP4HDAC8HDAC1
SCHEMBL29978582 0.87 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC1CNR1

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