SCHEMBL24151567

SCHEMBL24151567

CN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)/C(=C\c1nccs1)C(=O)N2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.55
▸ CASP3 P42574 7/20 0.44
▸ MAOA P21397 5/20 0.44
▸ MAOB P27338 3/20 0.44
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ CA12 O43570 3/20 0.37
▸ PARK7 Q99497 1/20 0.37
▸ APP P05067 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ CASP7 P55210 3/20 0.35
▸ CASP6 P55212 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL24151570 0.88 MAOA (0.41) TRPA1CASP3MAOAMAOBCA1
SCHEMBL24151571 0.88 MAOA (0.41) TRPA1CASP3MAOAMAOBCA1
SCHEMBL24152352 0.88 MAOA (0.41) TRPA1CASP3MAOAMAOBCA1
SCHEMBL24151572 0.87 CASP3 (0.41) TRPA1CASP3MAOAMAOBCASP7
SCHEMBL24151566 0.87 MAOA (0.56) TRPA1CASP3MAOAMAOBCA1
SCHEMBL24152355 0.87 MAOA (0.41) TRPA1CASP3MAOAMAOBCA1
SCHEMBL24153267 0.87 TRPA1 (0.48) TRPA1CASP3MAOACA1CA2
SCHEMBL24151575 0.81 TRPA1 (0.61) TRPA1CASP3CA1CA2CA9
SCHEMBL24152371 0.81 TRPA1 (0.41) TRPA1CASP3MAOAMAOBCA1
SCHEMBL24152357 0.80 TRPA1 (0.54) TRPA1CASP3MAOACA1CA2

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-2021260722-A1 DESIGN, SYNTHESIS OF NOVEL OXYINDOLE INHIBITORS OF DENV RNA DEPENDENT RNA POLYMERASE TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2021-12-30 — — WO disclosed
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