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Sugi Predict / Compounds / SCHEMBL18954825

SCHEMBL18954825

SCHEMBL18954825

NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 18/20 1.00
▸ CA2 P00918 18/20 1.00
▸ CA9 Q16790 18/20 1.00
▸ CA12 O43570 15/20 1.00
▸ CASP3 P42574 2/20 0.66
▸ CASP7 P55210 2/20 0.66
▸ CASP1 P29466 1/20 0.66
▸ CASP4 P49662 1/20 0.66
▸ CASP9 P55211 1/20 0.66
▸ CASP6 P55212 1/20 0.66
▸ CASP8 Q14790 1/20 0.66

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
SCHEMBL18954810 0.87 CA1 (0.77) CA1CA2CA9CA12CASP3
SCHEMBL18954728 0.85 CA1 (1.00) CA1CA2CA9CA12
SCHEMBL18954905 0.84 CA1 (0.79) CA1CA2CA9CA12
SCHEMBL18954543 0.84 CA1 (0.79) CA1CA2CA9CA12
SCHEMBL18954788 0.84 CA1 (0.79) CA1CA2CA9CA12
SCHEMBL18954722 0.81 CA1 (0.83) CA1CA2CA9CA12
SCHEMBL8019897 0.81 CASP3 (0.79) CA1CA2CA9CA12CASP3
SCHEMBL18955136 0.81 CA1 (1.00) CA1CA2CA9CA12CASP3
SCHEMBL18954541 0.81 CA1 (1.00) CA1CA2CA9CA12
SCHEMBL18954616 0.81 CA1 (0.73) CA1CA2CA9CA12

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
WO-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 — — WO disclosed
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