SCHEMBL29978119

SCHEMBL29978119

O=C(COc1ccc(F)cc1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
HDAC6 Q9UBN7 6/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC5 Q9UQL6 1/20 0.45
FKBP1A P62942 1/20 0.41
HDAC4 P56524 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ENPP2 Q13822 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC2 Q92769 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37

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
SCHEMBL29978074 0.93 L3MBTL1 (0.49) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978364 0.92 HDAC6 (0.45) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978198 0.89 HDAC6 (0.47) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978373 0.87 HDAC4 (0.39) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL29978400 0.86 HDAC6 (0.45) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978317 0.86 HDAC6 (0.44) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978604 0.85 HDAC4 (0.50) L3MBTL1HDAC6HDAC1HDAC8HDAC4
SCHEMBL29978717 0.84 HDAC6 (0.44) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978563 0.84 HDAC6 (0.43) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978018 0.84 HDAC6 (0.42) L3MBTL1HDAC6HDAC1HDAC8HDAC5

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