SCHEMBL31390751

SCHEMBL31390751

O=C(CCCCNC(=O)CNc1nc2cc(F)ccc2s1)NO

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.48
▸ HDAC6 Q9UBN7 16/20 0.48
▸ HDAC1 Q13547 16/20 0.47
▸ HDAC2 Q92769 10/20 0.47
▸ HDAC8 Q9BY41 12/20 0.45
▸ HDAC3 O15379 10/20 0.45
▸ HDAC4 P56524 9/20 0.45
▸ HDAC7 Q8WUI4 9/20 0.45
▸ HDAC10 Q969S8 9/20 0.45
▸ HDAC11 Q96DB2 9/20 0.45
▸ HDAC9 Q9UKV0 9/20 0.45
▸ HDAC5 Q9UQL6 9/20 0.45
▸ NCOR2 Q9Y618 4/20 0.45

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
SCHEMBL31390759 0.84 HDAC6 (0.66) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL31390754 0.84 HDAC6 (0.66) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL31390750 0.82 RAB9A (0.49) DYRK1AHDAC6HDAC1HDAC2HDAC8
SCHEMBL31390758 0.81 RAB9A (0.55) DYRK1AHDAC6HDAC1HDAC2HDAC8
SCHEMBL31390752 0.80 CA12 (0.52) DYRK1AHDAC6HDAC1
SCHEMBL31390756 0.78 CA12 (0.58) DYRK1AHDAC6HDAC1HDAC2HDAC8
SCHEMBL30526525 0.70 NPC1 (0.63) DYRK1AHDAC6HDAC1HDAC2HDAC8
SCHEMBL30526512 0.70 NPC1 (0.63) DYRK1AHDAC6HDAC1HDAC2HDAC8
SCHEMBL30526523 0.70 NPC1 (0.63) DYRK1AHDAC6HDAC1HDAC2HDAC8
SCHEMBL31717641 0.69 DYRK1A (0.69) DYRK1A

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
Send feedback