SCHEMBL24151578

SCHEMBL24151578

C#CCN1C(=O)/C(=C/c2nccs2)c2cc(S(=O)(=O)N(C)C(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.46
▸ MAOA P21397 4/20 0.43
▸ MAOB P27338 3/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ PRNP P04156 1/20 0.31
▸ SCN1B Q07699 2/20 0.31
▸ SCN8A Q9UQD0 2/20 0.31
▸ SCN1A P35498 1/20 0.30
▸ SCN5A Q14524 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
SCHEMBL24152377 0.90 TRPA1 (0.48) TRPA1MAOAMAOBCASP3PRNP
SCHEMBL24152529 0.90 TRPA1 (0.45) TRPA1MAOAMAOBCASP3
SCHEMBL24151575 0.89 TRPA1 (0.61) TRPA1CASP3
SCHEMBL24151573 0.87 TRPA1 (0.45) TRPA1CASP3PRNPSCN1BSCN8A
SCHEMBL24152375 0.86 TRPA1 (0.41) TRPA1PRNPSCN1BSCN8ASCN1A
SCHEMBL24151584 0.86 TRPA1 (0.42) TRPA1CASP3PRNPSCN1BSCN8A
SCHEMBL24151588 0.85 TRPA1 (0.43) TRPA1CASP3PRNPSCN1BSCN8A
SCHEMBL24151589 0.85 TRPA1 (0.47) TRPA1CASP3PRNPSCN1BSCN8A
SCHEMBL24151586 0.85 TRPA1 (0.47) TRPA1PRNP
SCHEMBL24152517 0.81 TRPA1 (0.48) TRPA1PRNPSCN1BSCN8ASCN1A

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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