SCHEMBL9519974

SCHEMBL9519974

CCOC(=O)OC1CCN(C(=O)Cn2c(=O)sc3cccc(Cl)c32)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ CHRM5 P08912 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NPY5R Q15761 13/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9521328 0.86 CHRM5 (0.46) TDP1CHRM5GAATSHRNPSR1
SCHEMBL9519651 0.86 NPY5R (0.44) TDP1CHRM5GAATSHRNPSR1
SCHEMBL9522896 0.86 TDP1 (0.52) TDP1CHRM5GAATSHRNPSR1
SCHEMBL9521025 0.86 CHRM5 (0.44) TDP1CHRM5GAATSHRNPSR1
SCHEMBL9519676 0.83 CHRM5 (0.46) TDP1CHRM5GAATSHRNPSR1
SCHEMBL9520751 0.82 CHRM5 (0.43) TDP1CHRM5GAATSHRNPSR1
SCHEMBL9520739 0.82 CHRM5 (0.43) TDP1CHRM5GAATSHRNPSR1
SCHEMBL9519675 0.81 NPY5R (0.59) TDP1NPY5R
SCHEMBL9521617 0.81 TDP1 (0.53) TDP1GAATSHRNPSR1NPY5R
SCHEMBL145367 0.77 ALDH1A1 (0.48) TDP1GAATSHRNPSR1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288973-B1 BENZOTHIAZOLINONE DERIVATIVES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITION Fujisawa Astra Ltd. (JP) 1993-01-13 — — EP disclosed
US-4879301-A Antiallergic and antiinflammatory benzothiazolinone derivatives HOEI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 — — US disclosed
EP-0288973-A2 Benzothiazolinone derivatives, their production and pharmaceutical composition Fujisawa Astra Ltd. (JP) 1988-11-02 — — EP disclosed
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