SCHEMBL31390747

SCHEMBL31390747

CCOc1ccc2nc(NCC(=O)NCc3ccc(CC(=O)NO)cc3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 9/20 0.62
▸ CA12 O43570 3/20 0.61
▸ CA1 P00915 3/20 0.61
▸ CA2 P00918 3/20 0.61
▸ CA7 P43166 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL31390760 0.84 CA12 (0.56) CSNK1DCA12CA1CA2CA7
SCHEMBL31390748 0.78 CA12 (0.53) CSNK1DCA12CA1CA2CA7
SCHEMBL31390752 0.77 CA12 (0.52) CSNK1DCA12CA1CA2CA7
SCHEMBL17287673 0.77 CSNK1D (1.00) CSNK1DALDH1A1MAPTNPC1RAB9A
SCHEMBL12234744 0.76 MAPT (0.65) CSNK1DALDH1A1MAPTHPGDNPC1
SCHEMBL16299055 0.76 CSNK1D (1.00) CSNK1DALDH1A1MAPTNPC1RAB9A
SCHEMBL17287696 0.73 CSNK1D (1.00) CSNK1DALDH1A1MAPTNPC1RAB9A
SCHEMBL6229213 0.73 SMN1; SMN2 (0.82) CSNK1DALDH1A1MAPTNPC1RAB9A
SCHEMBL24846562 0.72 MAPT (0.60) CSNK1DALDH1A1MAPTHPGDNPC1
SCHEMBL17287672 0.72 CSNK1D (1.00) CSNK1DALDH1A1MAPTNPC1RAB9A

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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