SCHEMBL24153260

SCHEMBL24153260

CN1C(=O)/C(=C/c2nccs2)c2cc(S(=O)(=O)N(C)C(c3cccc(F)c3)c3cccc(F)c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.36
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ CASP3 P42574 2/20 0.35
▸ EGFR P00533 6/20 0.33
▸ SCN5A Q14524 3/20 0.32
▸ SCN1A P35498 2/20 0.32
▸ SCN8A Q9UQD0 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 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
SCHEMBL24151584 0.91 TRPA1 (0.42) TRPA1CASP3SCN5ASCN1ASCN8A
SCHEMBL24153262 0.91 TRPA1 (0.36) TRPA1MAOAMAOBCASP3MAPT
SCHEMBL24153263 0.87 TRPA1 (0.38) TRPA1MAPTPOLBSTAT3SMN1; SMN2
SCHEMBL24152367 0.85 TRPA1 (0.41) TRPA1CASP3SCN5ASCN1ASCN8A
SCHEMBL24152463 0.82 TRPA1 (0.41) TRPA1CASP3SCN5ASCN1ASCN8A
SCHEMBL24152375 0.81 TRPA1 (0.41) TRPA1SCN5ASCN1ASCN8AMAPT
SCHEMBL24152365 0.81 TRPA1 (0.34) TRPA1MAOAMAOBCASP3SCN5A
SCHEMBL24152377 0.81 TRPA1 (0.48) TRPA1MAOAMAOBCASP3SCN5A
SCHEMBL24151587 0.81 TRPA1 (0.42) TRPA1CASP3SCN5ASCN1ASCN8A
SCHEMBL24151575 0.79 TRPA1 (0.61) TRPA1CASP3MAPTCA1CA2

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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