SCHEMBL24497698

SCHEMBL24497698

CN(c1cc(C2CC2)ccc1C(C)(C)C)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.39
CYP19A1 P11511 3/20 0.34
POLQ O75417 1/20 0.33
HSD11B1 P28845 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
ALK Q9UM73 3/20 0.32
NPM1 P06748 1/20 0.31
WDR5 P61964 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL26544477 0.86 POLQ (0.34) TYK2POLQHSD11B1
SCHEMBL24497510 0.80 TYK2 (0.43) TYK2CYP19A1JAK2JAK3PTK2
SCHEMBL29686281 0.79 TYK2 (0.42) TYK2CYP19A1JAK2JAK3PTK2
SCHEMBL24498229 0.79 TYK2 (0.40) TYK2CYP19A1JAK2JAK3PTK2
SCHEMBL20093009 0.79 TYK2 (0.42) TYK2CYP19A1JAK2JAK3PTK2
SCHEMBL26517347 0.78 TYK2 (0.39) TYK2CYP19A1POLQJAK2JAK3
SCHEMBL24498566 0.77 TYK2 (0.39) TYK2CYP19A1HSD11B1JAK2JAK3
SCHEMBL24497497 0.76 NPSR1 (0.37) TYK2CYP19A1PTK2KMT2AMEN1
SCHEMBL20230844 0.75 GAA (0.40) TYK2CYP19A1KMT2AMEN1
SCHEMBL29739965 0.74 CYP19A1 (0.45) TYK2CYP19A1

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-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 WO disclosed