SCHEMBL10694724

SCHEMBL10694724

Nc1c(O)c([N+](=O)[O-])c(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.47
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CASP6 P55212 2/20 0.42
NSD2 O96028 1/20 0.42
GAA P10253 1/20 0.42
PLCG1 P19174 1/20 0.42
DNMT1 P26358 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NT5E P21589 1/20 0.42
DAPK1 P53355 1/20 0.40
LMNA P02545 1/20 0.40
CTSB P07858 2/20 0.39
CYP3A4 P08684 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL11132864 0.85 S100A4 (0.51) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL480564 0.80 S100A4 (0.66) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28041851 0.79 S100A4 (0.50) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8915189 0.79 DAPK1 (0.51) DAPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL3191789 0.76 S100A4 (0.61) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27280773 0.76 S100A4 (0.50) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9672404 0.76 S100A4 (0.50) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5734148 0.75 DAPK1 (0.51) DAPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL8025326 0.75 DAPK1 (0.56) DAPK1MEN1KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL11753500 0.74 S100A4 (0.49) S100A4GRIN2DGRIN3BGRIN1GRIN2A

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-0260561-A2 Process for dyeing leather with dyestuff mixtures BAYER AG (DE) 1988-03-23 EP claimed