SCHEMBL31390752

SCHEMBL31390752

O=C(Cc1ccc(CNC(=O)CNc2nc3cc(F)ccc3s2)cc1)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.52
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA7 P43166 4/20 0.52
▸ DYRK1A Q13627 1/20 0.47
▸ WNT3A P56704 3/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ CSNK1D P48730 1/20 0.40

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
SCHEMBL31390748 0.88 CA12 (0.53) CA12CA1CA2CA7DYRK1A
SCHEMBL31390760 0.82 CA12 (0.56) CA12CA1CA2CA7DYRK1A
SCHEMBL31390751 0.80 DYRK1A (0.48) DYRK1AHDAC6HDAC1
SCHEMBL31390747 0.77 CSNK1D (0.62) CA12CA1CA2CA7ALDH1A1
SCHEMBL29213220 0.69 ACP1 (0.53) CA12CA1CA2CA7DYRK1A
SCHEMBL3464460 0.67 DYRK1A (0.56) DYRK1AALDH1A1RAB9ALMNAKMT2A
SCHEMBL6359608 0.67 DYRK1A (0.72) DYRK1AALDH1A1RAB9AKMT2ACSNK2A2
SCHEMBL2684071 0.67 DYRK1A (0.68) DYRK1AWNT3AALDH1A1RAB9AHTT
SCHEMBL27485540 0.66 GAA (0.66) HDAC6ALDH1A1RAB9ALMNAKMT2A
SCHEMBL9335490 0.66 RAB9A (0.50) DYRK1AALDH1A1RAB9ALMNAKMT2A

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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