SCHEMBL24151566

SCHEMBL24151566

C#CCN1C(=O)/C(=C/c2nccs2)c2cc(S(=O)(=O)N(C)Cc3ccc(F)cc3F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.56
▸ CASP3 P42574 6/20 0.56
▸ MAOB P27338 4/20 0.56
▸ TRPA1 O75762 2/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ ALK Q9UM73 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ PRNP P04156 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
SCHEMBL24151570 0.89 MAOA (0.41) MAOACASP3MAOBTRPA1RXFP1
SCHEMBL24151571 0.89 MAOA (0.41) MAOACASP3MAOBTRPA1CASP7
SCHEMBL24152352 0.88 MAOA (0.41) MAOACASP3MAOBTRPA1RXFP1
SCHEMBL24151572 0.88 CASP3 (0.41) MAOACASP3MAOBTRPA1CASP7
SCHEMBL24152355 0.87 MAOA (0.41) MAOACASP3MAOBTRPA1RXFP1
SCHEMBL24151567 0.87 TRPA1 (0.55) MAOACASP3MAOBTRPA1CASP7
SCHEMBL24153267 0.80 TRPA1 (0.48) MAOACASP3TRPA1CASP7CA12
SCHEMBL24153270 0.80 TRPA1 (0.39) MAOACASP3MAOBTRPA1CASP7
SCHEMBL24152440 0.79 TRPA1 (0.34) MAOACASP3MAOBTRPA1ALK
SCHEMBL24152458 0.79 TRPA1 (0.35) MAOACASP3MAOBTRPA1CA1

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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