SCHEMBL31390760

SCHEMBL31390760

O=C(Cc1ccc(CNC(=O)CNc2nc3ccc(Br)cc3s2)cc1)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.56
▸ CA1 P00915 4/20 0.56
▸ CA2 P00918 4/20 0.56
▸ CA7 P43166 4/20 0.56
▸ HDAC1 Q13547 1/20 0.50
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ CSNK1D P48730 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CLK1 P49759 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43

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 0.92 CA12 (0.53) CA12CA1CA2CA7HDAC1
SCHEMBL31390747 0.84 CSNK1D (0.62) CA12CA1CA2CA7RAB9A
SCHEMBL31390752 0.82 CA12 (0.52) CA12CA1CA2CA7HDAC1
SCHEMBL31390750 0.80 RAB9A (0.49) CA12CA1CA2CA7HDAC1
SCHEMBL18851067 0.74 CSNK1D (0.71) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL18541791 0.72 LCK (0.62) HDAC1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL31204260 0.71 DYRK1A (0.64) HDAC1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL25402093 0.71 RAB9A (0.58) HDAC1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL26967581 0.70 RAB9A (0.64) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16896899 0.70 CSNK1D (0.67) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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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