SCHEMBL24152818

SCHEMBL24152818

C=CCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)/C(=C\c1nccs1)C(=O)N2C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BRD4 O60885 2/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MAOA P21397 3/20 0.31
▸ MAOB P27338 2/20 0.31
▸ CASP3 P42574 2/20 0.31
▸ SCN9A Q15858 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
SCHEMBL24153270 0.91 TRPA1 (0.39) TRPA1KDM4ELMNATAS2R14PTGS1
SCHEMBL24152493 0.91 PTGS1 (0.37) TRPA1KDM4ELMNATAS2R14PTGS1
SCHEMBL24152504 0.91 TAS2R14 (0.41) TRPA1KDM4ELMNATAS2R14PTGS1
SCHEMBL24152819 0.89 RXFP1 (0.34) TRPA1KDM4ELMNATAS2R14PTGS1
SCHEMBL24152352 0.89 MAOA (0.41) TRPA1KDM4ELMNATAS2R14PTGS1
SCHEMBL24152825 0.89 TAS2R14 (0.35) TRPA1KDM4ELMNATAS2R14PTGS1
SCHEMBL24152457 0.89 KDM4E (0.33) TRPA1KDM4ELMNATAS2R14PTGS1
SCHEMBL24152458 0.87 TRPA1 (0.35) TRPA1KDM4ELMNAPTGS1PTGS2
SCHEMBL24152488 0.87 SMN1; SMN2 (0.33) TRPA1KDM4ELMNATAS2R14PTGS1
SCHEMBL24152379 0.87 BRD4 (0.34) TRPA1KDM4ELMNATAS2R14PTGS1

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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