SCHEMBL29978322

SCHEMBL29978322

O=C(COc1cc(Cl)cc(Cl)c1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC5 Q9UQL6 2/20 0.43
F2 P00734 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
HDAC4 P56524 6/20 0.37
ENPP2 Q13822 5/20 0.36
HDAC2 Q92769 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ATXN2 Q99700 1/20 0.35
FKBP1A P62942 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CGAS Q8N884 1/20 0.33

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
SCHEMBL29978400 0.92 HDAC6 (0.45) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978171 0.92 HDAC6 (0.44) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978545 0.92 FKBP1A (0.46) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978074 0.89 L3MBTL1 (0.49) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978317 0.88 HDAC6 (0.44) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978374 0.87 RAB9A (0.43) HDAC6HDAC8HDAC1HDAC5L3MBTL1
SCHEMBL29978874 0.87 HDAC6 (0.41) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978413 0.87 HDAC6 (0.43) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978717 0.87 HDAC6 (0.44) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978539 0.85 HDAC4 (0.42) HDAC6HDAC8HDAC1HDAC5HDAC4

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