SCHEMBL29217750

SCHEMBL29217750

CCOC(C)CC(CCC(N)=O)c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ MAPT P10636 2/20 0.39

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
SCHEMBL30884124 0.79 ALOX5 (0.46) ALOX5LOXL2PKMRAB9AALDH1A1
SCHEMBL27443616 0.75 ALOX5 (0.53) ALOX5LOXL2PKMRAB9AALDH1A1
SCHEMBL30416339 0.75 ALOX5 (0.52) ALOX5LOXL2PKMRAB9AALDH1A1
SCHEMBL23833005 0.75 ALOX5 (0.52) ALOX5LOXL2PKMRAB9AALDH1A1
SCHEMBL5320260 0.73 ALOX5 (0.48) ALOX5LOXL2PKMRAB9AALDH1A1
SCHEMBL28967230 0.73 ALOX5 (0.44) ALOX5LOXL2PKMRAB9AALDH1A1
SCHEMBL27718331 0.71 HPGD (0.52) ALOX5LOXL2PKMRAB9AALDH1A1
SCHEMBL27739386 0.70 SMN1; SMN2 (0.53) ALOX5LOXL2PKMRAB9AALDH1A1
SCHEMBL23833148 0.70 ALOX5 (0.47) ALOX5LOXL2PKMRAB9AALDH1A1
SCHEMBL23832970 0.70 HDAC3 (0.48) ALOX5LOXL2PKMRAB9AALDH1A1

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-117756742-A Benzothiazole compound or salt thereof, preparation method and application thereof 徐州医科大学 2024-03-26 — — CN disclosed
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