SCHEMBL31390759

SCHEMBL31390759

O=C(CCCCCCNC(=O)CNc1nc2ccccc2s1)NO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.66
▸ HDAC1 Q13547 12/20 0.59
▸ HDAC8 Q9BY41 5/20 0.56
▸ HDAC2 Q92769 7/20 0.55
▸ HDAC3 O15379 4/20 0.55
▸ HDAC4 P56524 4/20 0.55
▸ HDAC7 Q8WUI4 4/20 0.55
▸ HDAC10 Q969S8 4/20 0.55
▸ HDAC11 Q96DB2 4/20 0.55
▸ HDAC9 Q9UKV0 4/20 0.55
▸ HDAC5 Q9UQL6 4/20 0.55
▸ MAPT P10636 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ MGLL Q99685 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL31390754 1.00 HDAC6 (0.66) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL30526525 0.86 NPC1 (0.63) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL30526512 0.86 NPC1 (0.63) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL30526523 0.86 NPC1 (0.63) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL31390750 0.84 RAB9A (0.49) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL31390758 0.84 RAB9A (0.55) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL31390751 0.84 DYRK1A (0.48) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL8234055 0.82 HDAC1 (0.79) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL31390756 0.81 CA12 (0.58) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL2224465 0.80 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC2HDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504644-A Benzothiazole coupled hydroxamic acid compound, and preparation method and application thereof 暨南大学 2025-02-25 — — CN disclosed
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