SCHEMBL8439596

SCHEMBL8439596

O=C(O)c1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SRD5A2 P31213 1/20 0.42
NSD2 O96028 1/20 0.41
GAA P10253 1/20 0.41
PLCG1 P19174 1/20 0.41
DNMT1 P26358 1/20 0.41
CASP6 P55212 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
AKR1C3 P42330 2/20 0.40
ALOX5 P09917 2/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL3495478 0.98 LCK (0.63) LCKFYNKMT2AMEN1TP53
SCHEMBL4360176 0.88 CYP3A4 (0.46) LCKFYNKMT2AMEN1TP53
SCHEMBL4360179 0.86 CYP3A4 (0.47) LCKFYNKMT2AMEN1TP53
SCHEMBL28543490 0.84 GAA (0.50) KMT2AMEN1TDP1CYP3A4SMN1; SMN2
SCHEMBL11221366 0.84 GAA (0.50) KMT2AMEN1TDP1CYP3A4SMN1; SMN2
SCHEMBL8439600 0.83 CA2 (0.49) LCKFYNKMT2AMEN1TP53
SCHEMBL1172249 0.83 TP53 (0.49) LCKFYNKMT2AMEN1TP53
SCHEMBL11228135 0.82 GAA (0.52) KMT2AMEN1TDP1CYP3A4SMN1; SMN2
SCHEMBL668513 0.82 CYP19A1 (0.52) KMT2AMEN1TDP1CYP3A4SMN1; SMN2
SCHEMBL28117879 0.82 TP53 (0.62) KMT2AMEN1TP53TDP1CYP3A4

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-5986066-A BIOMOLECULAR COATING ON SURFACE FOR ANALYZING SENSORY LAYERS SENSORY LAYERS ROCHE DIAGNOSTICS CORPORATION (US) 1999-11-16 US disclosed