SCHEMBL25033367

SCHEMBL25033367

COc1cc(S(N)(=O)=O)ccc1NCC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CA12 O43570 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CA4 P22748 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL25032715 0.83 CA2 (0.39) CA1CA2CA9ALDH1A1PTGS1
SCHEMBL23144259 0.80 CA2 (0.55) CA1CA2CA9ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7048906 0.77 CA1 (0.56) CA1CA2CA9ALDH1A1MAPT
SCHEMBL2007287 0.72 POLB (0.70) CA1CA2CA9CA12LMNA
SCHEMBL2342564 0.72 CA1 (0.49) CA1CA2CA9HPGDCA12
SCHEMBL17476037 0.71 POLB (0.68) CA1CA2CA9CA12LMNA
Potassium SCHEMBL29831526 0.71 POLB (0.68) CA1CA2CA9CA12LMNA
Potassium SCHEMBL17476038 0.71 POLB (0.68) CA1CA2CA9CA12LMNA
SCHEMBL28110073 0.71 CA1 (0.47) CA1CA2CA9CA12GAA
SCHEMBL25032711 0.70 CA1 (0.41) CA1CA2CA9ALDH1A1MAPT

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-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 WO disclosed