SCHEMBL29404378

SCHEMBL29404378

CCc1cccc(S(N)(=O)=O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.39
CA1 P00915 12/20 0.39
CA9 Q16790 11/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
CA12 O43570 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CA3 P07451 1/20 0.39
CTSB P07858 1/20 0.35
LPL P06858 3/20 0.34
LIPG Q9Y5X9 3/20 0.34
CDK2 P24941 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2288391 0.88 LPL (0.41) CA2CA1CA9CA4CA6
SCHEMBL22091132 0.75 CA1 (0.50) CA2CA1CA9CA4CA6
SCHEMBL6608093 0.73 CA2 (0.44) CA2CA1CA9CA4CA6
SCHEMBL31127486 0.73 CA2 (0.44) CA2CA1CA9CA4CA6
SCHEMBL31200670 0.73 L3MBTL1 (0.36) LPLLIPG
SCHEMBL20298060 0.73 CA2 (0.41) CA2CA1CA9CA4CA6
SCHEMBL29704142 0.73 CA2 (0.41) CA2CA1CA9CA4CA6
SCHEMBL5517846 0.72 CA1 (0.48) CA2CA1CA9CA4CA6
SCHEMBL24669737 0.72 CA2 (0.40) CA2CA1CA9CA4CA6
SCHEMBL17441815 0.72 CDK2 (0.47) CA2CA1CA9CA4CA6

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-114072390-A RAD51 inhibitors 赛泰尔治疗公司 2022-02-18 CN disclosed