SCHEMBL24151584

SCHEMBL24151584

CN1C(=O)/C(=C/c2nccs2)c2cc(S(=O)(=O)N(C)C(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.42
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ APP P05067 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ SCN1B Q07699 2/20 0.33
▸ SCN8A Q9UQD0 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SCN1A P35498 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ CASP3 P42574 2/20 0.31
▸ CASP7 P55210 2/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ PRNP P04156 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31

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
SCHEMBL24152367 0.92 TRPA1 (0.41) TRPA1MAPTSMN1; SMN2POLBSTAT3
SCHEMBL24153262 0.92 TRPA1 (0.36) TRPA1MAPTSMN1; SMN2POLBSTAT3
SCHEMBL24153263 0.92 TRPA1 (0.38) TRPA1MAPTSMN1; SMN2POLBSTAT3
SCHEMBL24153260 0.91 TRPA1 (0.36) TRPA1MAPTSMN1; SMN2POLBSTAT3
SCHEMBL24152463 0.90 TRPA1 (0.41) TRPA1MAPTSMN1; SMN2POLBSTAT3
SCHEMBL24152375 0.90 TRPA1 (0.41) TRPA1MAPTSMN1; SMN2SCN1BSCN8A
SCHEMBL24151587 0.89 TRPA1 (0.42) TRPA1MAPTSMN1; SMN2POLBSTAT3
SCHEMBL24152377 0.89 TRPA1 (0.48) TRPA1MAPTSMN1; SMN2POLBSCN1B
SCHEMBL24152464 0.87 TRPA1 (0.41) TRPA1MAPTSMN1; SMN2POLBSTAT3
SCHEMBL24152462 0.87 TRPA1 (0.41) TRPA1MAPTSMN1; SMN2POLBSTAT3

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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