SCHEMBL8041843

SCHEMBL8041843

[N-]=[N+]=CS(=O)(=O)c1ccccc1S(=O)(=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 3/20 0.35
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA13 Q8N1Q1 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3175062 0.84 COMT (0.36) COMTCA12CA1CA2CA3
SCHEMBL3689443 0.82 TP53 (0.37) COMTCA12CA1CA2CA3
SCHEMBL3181033 0.79 CXCR2 (0.38) COMTALOX5APFEN1
SCHEMBL5882031 0.79 COMT (0.38) COMTCA12CA1CA2CA3
SCHEMBL27618671 0.79 PTGS2 (0.40) MAPTALDH1A1L3MBTL1CYP3A4CYP2C9
SCHEMBL17435204 0.78 DDR1 (0.31) COMT
SCHEMBL8059970 0.78 MEN1 (0.33) COMT
SCHEMBL3174665 0.76 NFE2L2 (0.34) CA1CA2MAPTALDH1A1SMN1; SMN2
SCHEMBL2670077 0.71 MEN1 (0.40) COMTLOXL2LOXALOX5APFEN1
SCHEMBL4918309 0.71 GAA (0.33) MAPTALDH1A1PTGDR2

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
US-6090518-A HAVING HIGH RESOLUTION, WHICH IS USEFUL FOR A HALFMICRONLITHOGRAPHY EMPLOYING A RADIATION MITSUBISHI CHEMICAL CORPORATION (JP) 2000-07-18 US disclosed