SCHEMBL29978074

SCHEMBL29978074

O=C(COc1ccc(F)cc1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

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
F2 P00734 1/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
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

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 0.93 HDAC6 (0.45) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978119 0.93 L3MBTL1 (0.49) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978317 0.92 HDAC6 (0.44) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978563 0.91 HDAC6 (0.43) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978717 0.91 HDAC6 (0.44) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978018 0.90 HDAC6 (0.42) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29977772 0.89 HDAC6 (0.43) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978874 0.89 HDAC6 (0.41) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29978322 0.89 HDAC6 (0.43) L3MBTL1HDAC6HDAC1HDAC8HDAC5
SCHEMBL29977850 0.88 HDAC6 (0.44) 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