SCHEMBL3941630

SCHEMBL3941630

CCOC(=O)S(C)(N=O)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 8/20 0.43
LMNA P02545 5/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
S1PR4 O95977 1/20 0.40
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL3937011 0.89 MAPT (0.46) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL3943794 0.86 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL3940421 0.82 MAPT (0.48) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL3941625 0.80 HPGD (0.49) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL2062103 0.75 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL25837923 0.75 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL1496409 0.72 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL18545802 0.72 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKMT2AL3MBTL1
SCHEMBL30686809 0.71 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL14567836 0.71 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A

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
EP-1673352-B1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CD AND/OR VEGF-INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS BAYER SCHERING PHARMA AG (DE) 2009-04-08 EP disclosed