SCHEMBL29264198

SCHEMBL29264198

CNCc1ccc(-c2ccccc2O)c(-c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
HTR7 P34969 3/20 0.41
SCN9A Q15858 6/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
STAT3 P40763 1/20 0.38
CA9 Q16790 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35

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
SCHEMBL29264249 0.87 HTR7 (0.47) CA2CA1HTR7SCN9AHTR1A
SCHEMBL29264212 0.86 SCN9A (0.41) CA2CA1HTR7SCN9APTGES2
SCHEMBL29264247 0.86 HTR7 (0.48) CA2CA1HTR7HTR1AHTR1D
SCHEMBL29264216 0.86 CSNK2A2 (0.42) CA2CA1HTR7SCN9AHTR1A
SCHEMBL29264203 0.86 HTR7 (0.40) CA2CA1HTR7SCN9AHTR1A
SCHEMBL29264253 0.84 HTR7 (0.64) CA2CA1HTR7SCN9AHTR1A
SCHEMBL29264240 0.83 SCN9A (0.48) CA2CA1HTR7SCN9APTGES2
SCHEMBL27200642 0.81 LTA4H (0.48) SCN9A
SCHEMBL27200652 0.81 PRMT6 (0.46) CA2CA1HTR7SCN9AHTR1A
SCHEMBL27200822 0.80 PTGES2 (0.47) CA2CA1HTR7SCN9AHTR1A

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
CN-118206476-A Alkylamine substituted sulfonamide compound and application thereof 上海璃道医药科技有限公司 2024-06-18 CN disclosed