SCHEMBL29134055

SCHEMBL29134055

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MEN1 O00255 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.45
KIF18A Q8NI77 1/20 0.44
MET P08581 1/20 0.44

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
SCHEMBL30446303 0.82 KMT2A (1.00) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL2039879 0.82 KMT2A (1.00) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL11566827 0.82 KMT2A (1.00) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL8884645 0.81 KMT2A (0.77) KMT2AMEN1SMN1; SMN2GAAHSD17B10
SCHEMBL11193800 0.80 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2HSD17B10POLB
SCHEMBL2236507 0.78 ALDH1A1 (0.50) KMT2ASMN1; SMN2GAAHSD17B10POLB
SCHEMBL16268967 0.78 CNR2 (0.51) KMT2AGAAHSD17B10POLBALDH1A1
SCHEMBL28006670 0.77 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2HSD17B10POLB
SCHEMBL28600352 0.75 LMNA (0.43) KMT2AMEN1SMN1; SMN2HSD17B10POLB
SCHEMBL27685985 0.75 ACHE (0.46) KMT2AMEN1SMN1; SMN2HSD17B10ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119639837-A Vortioxetine Process for the preparation of intermediates 广东东阳光药业股份有限公司 2025-03-18 CN disclosed
CN-117214326-A HPLC detection method for vothidine impurity 湖南省湘中制药有限公司 2023-12-12 CN disclosed