SCHEMBL29978717

SCHEMBL29978717

O=C(COc1ccc(F)nc1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.44
HDAC1 Q13547 6/20 0.44
HDAC5 Q9UQL6 4/20 0.44
HDAC8 Q9BY41 4/20 0.43
F2 P00734 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HDAC4 P56524 8/20 0.37
HDAC2 Q92769 2/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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 0.91 L3MBTL1 (0.49) HDAC6HDAC1HDAC5HDAC8F2
SCHEMBL29978400 0.89 HDAC6 (0.45) HDAC6HDAC1HDAC5HDAC8F2
SCHEMBL29978317 0.89 HDAC6 (0.44) HDAC6HDAC1HDAC5HDAC8F2
SCHEMBL29978874 0.87 HDAC6 (0.41) HDAC6HDAC1HDAC5HDAC8F2
SCHEMBL29978563 0.87 HDAC6 (0.43) HDAC6HDAC1HDAC5HDAC8F2
SCHEMBL29978413 0.87 HDAC6 (0.43) HDAC6HDAC1HDAC5HDAC8F2
SCHEMBL29978322 0.87 HDAC6 (0.43) HDAC6HDAC1HDAC5HDAC8F2
SCHEMBL29978018 0.86 HDAC6 (0.42) HDAC6HDAC1HDAC5HDAC8F2
SCHEMBL29978545 0.85 FKBP1A (0.46) HDAC6HDAC1HDAC5HDAC8F2
SCHEMBL29978171 0.85 HDAC6 (0.44) HDAC6HDAC1HDAC5HDAC8F2

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