SCHEMBL24153262

SCHEMBL24153262

CN1C(=O)/C(=C/c2nccs2)c2cc(S(=O)(=O)N(C)C(c3ccc(F)cc3)c3ccc(F)cc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.36
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ MAOA P21397 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PRNP P04156 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ CASP3 P42574 1/20 0.30

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
SCHEMBL24153263 0.93 TRPA1 (0.38) TRPA1CA1CA2POLBMAPT
SCHEMBL24151584 0.92 TRPA1 (0.42) TRPA1POLBMAPTSTAT3SMN1; SMN2
SCHEMBL24153260 0.91 TRPA1 (0.36) TRPA1MAOACA1CA2POLB
SCHEMBL24152367 0.84 TRPA1 (0.41) TRPA1POLBMAPTSTAT3SMN1; SMN2
SCHEMBL24153249 0.84 TRPA1 (0.41) TRPA1PTGS1PTGS2MAOACA1
SCHEMBL24152365 0.83 TRPA1 (0.34) TRPA1PTGS1PTGS2MAOACA1
SCHEMBL24152463 0.82 TRPA1 (0.41) TRPA1POLBMAPTSTAT3SMN1; SMN2
SCHEMBL24152375 0.82 TRPA1 (0.41) TRPA1MAPTSMN1; SMN2PRNP
SCHEMBL24152377 0.81 TRPA1 (0.48) TRPA1MAOAPOLBMAPTSMN1; SMN2
SCHEMBL24151587 0.81 TRPA1 (0.42) TRPA1POLBMAPTSTAT3SMN1; SMN2

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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