SCHEMBL29978317

SCHEMBL29978317

Cc1ccc(OCC(=O)N2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
F2 P00734 1/20 0.43
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
TP53 P04637 2/20 0.41
HDAC4 P56524 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
FKBP1A P62942 1/20 0.39
MEN1 O00255 4/20 0.39

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 0.92 L3MBTL1 (0.49) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978400 0.92 HDAC6 (0.45) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978018 0.91 HDAC6 (0.42) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978702 0.89 MEN1 (0.43) HDAC6HDAC8HDAC1HDAC5HDAC4
SCHEMBL29978717 0.89 HDAC6 (0.44) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978322 0.88 HDAC6 (0.43) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978398 0.88 MEN1 (0.44) HDAC6HDAC8HDAC1HDAC5HDAC4
SCHEMBL29978512 0.88 GAA (0.46) HDAC6HDAC8HDAC1HDAC5F2
SCHEMBL29978732 0.87 HDAC4 (0.55) HDAC6HDAC8HDAC1HDAC5HDAC4
SCHEMBL29978108 0.87 HDAC4 (0.40) 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