SCHEMBL28953545

SCHEMBL28953545

Cc1ccc(C(=O)C(=[N+]=[N-])S(=O)(=O)c2ccccc2)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
METAP2 P50579 2/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
NFE2L2 Q16236 1/20 0.33
MCL1 Q07820 1/20 0.32
NR1H2 P55055 2/20 0.32
STAT5B P51692 1/20 0.32
PPARA Q07869 1/20 0.32
STAT3 P40763 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL28953548 0.85 HSD11B1 (0.41) HSD11B1METAP2NFE2L2MCL1HDAC7
SCHEMBL1089508 0.75 HSD11B1 (0.41) HSD11B1CA12CA1CA7CA14
SCHEMBL29130828 0.74 ALDH1A1 (0.36) HSD11B1CA1
SCHEMBL6351061 0.73 CSNK2A1 (0.41) HDAC7
SCHEMBL9010921 0.73 ALDH1A1 (0.39) HSD11B1
SCHEMBL384366 0.73 CES2 (0.51) HSD11B1
SCHEMBL9010834 0.72 KAT6A (0.49) HSD11B1
SCHEMBL383775 0.72 ALDH1A1 (0.41) CA12CA1CA7CA14
SCHEMBL384364 0.70 CES2 (0.51) HSD11B1
SCHEMBL28778814 0.69 CSNK2A1 (0.50) METAP2CA12CA1CA7CA14

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-108107676-B Chemically amplified positive resist film laminate and pattern formation method 信越化学工业株式会社 2023-02-21 CN disclosed