SCHEMBL31054271

SCHEMBL31054271

CN1CCc2cc(S(N)(=O)=O)sc2C1.[Na]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.42
F10 P00742 1/20 0.40
PARP1 P09874 3/20 0.39
PARP2 Q9UGN5 3/20 0.39
WDR91 A4D1P6 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ADORA1 P30542 1/20 0.35
RAD52 P43351 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 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
SCHEMBL22012060 0.98 CA2 (0.43) CA2F10PARP1PARP2WDR91
SCHEMBL31054256 0.88 CA2 (0.42) CA2F10PARP1PARP2MAOA
SCHEMBL30244447 0.87 PARP1 (0.38) F10PARP1PARP2WDR91MAOA
SCHEMBL22012059 0.83 F10 (0.41) F10PARP1PARP2WDR91MAOA
SCHEMBL10648892 0.78 NOTUM (0.44) CA2ALDH1A1KMT2A
SCHEMBL10649011 0.77 DRD2 (0.40) CA2DRD2
SCHEMBL10661686 0.77 HDAC6 (0.40) CA2
SCHEMBL22012058 0.73 DRD2 (0.36) F10PARP1PARP2WDR91DRD2
SCHEMBL29505746 0.72 CA2 (0.54) CA2ALDH1A1MAPTMEN1HPGD
SCHEMBL29401046 0.72 CA2 (0.54) CA2ALDH1A1MEN1HPGDKMT2A

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-118475558-A Sulfonylurea compound 瑞石生物医药有限公司 2024-08-09 CN disclosed