SCHEMBL29264249

SCHEMBL29264249

CNCc1ccc(-c2ccccc2C)c(-c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.47
SCN9A Q15858 5/20 0.45
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 5/20 0.38
CA12 O43570 3/20 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
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
NAMPT P43490 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL29264198 0.87 CA2 (0.42) HTR7SCN9ACA1CA2CA9
SCHEMBL29264216 0.86 CSNK2A2 (0.42) HTR7SCN9ACA1CA2HTR1A
SCHEMBL29264203 0.86 HTR7 (0.40) HTR7SCN9ACA1CA2CA9
SCHEMBL29264247 0.86 HTR7 (0.48) HTR7CA1CA2CA9CA12
SCHEMBL29264212 0.84 SCN9A (0.41) HTR7SCN9ACA1CA2PTGES2
SCHEMBL29264253 0.84 HTR7 (0.64) HTR7SCN9ACA1CA2CA9
SCHEMBL29264240 0.83 SCN9A (0.48) HTR7SCN9ACA1CA2PTGES2
SCHEMBL27200641 0.82 HTR7 (0.38) HTR7SCN9ACA1CA2HTR1A
SCHEMBL29264168 0.81 HTR7 (0.39) HTR7SCN9ACA1CA2HTR1A
SCHEMBL27200642 0.81 LTA4H (0.48) SCN9A

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