SCHEMBL6580682

SCHEMBL6580682

O=S(=O)(O)c1ccc(N=Nc2cc(S)c3ccccc3c2O)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.71
CTRB1 P17538 1/20 0.65
THRB P10828 3/20 0.61
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
MPL P40238 5/20 0.49
CTRC Q99895 1/20 0.49
NSD2 O96028 2/20 0.46
BLM P54132 2/20 0.46
POLB P06746 1/20 0.46
IDE P14735 1/20 0.46
DUSP3 P51452 1/20 0.46
CCR6 P51684 1/20 0.46
ATIC P31939 1/20 0.45
MMP14 P50281 1/20 0.45
CASP6 P55212 1/20 0.45
SUMO2 P61956 3/20 0.44
SUMO1 P63165 3/20 0.44
SENP7 Q9BQF6 3/20 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
E122 SCHEMBL110093 0.89 CYP1A2 (0.78) CYP1A2CTRB1THRBMEN1KMT2A
E122 SCHEMBL345295 0.89 CYP1A2 (0.78) CYP1A2CTRB1THRBMEN1KMT2A
E122 SCHEMBL185359 0.87 CYP1A2 (0.76) CYP1A2CTRB1THRBMEN1KMT2A
E122 SCHEMBL4806652 0.87 CYP1A2 (0.76) CYP1A2CTRB1THRBMEN1KMT2A
E122 SCHEMBL185360 0.87 CYP1A2 (0.76) CYP1A2CTRB1THRBMEN1KMT2A
SCHEMBL8947091 0.84 CYP1A2 (0.71) CYP1A2CTRB1THRBMEN1KMT2A
E122 SCHEMBL4806638 0.83 THRB (0.90) CYP1A2CTRB1THRBMEN1KMT2A
E122 SCHEMBL3208444 0.83 THRB (0.90) CYP1A2CTRB1THRBMEN1KMT2A
SCHEMBL626036 0.81 CYP1A2 (0.66) CYP1A2CTRB1THRBMEN1KMT2A
SCHEMBL4423484 0.79 CTRB1 (1.00) CYP1A2CTRB1THRBMEN1KMT2A

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
EP-1411883-A2 FOAMABLE PREPARATIONS Beiersdorf AG (DE) 2004-04-28 EP disclosed
WO-2003007894-A2 FOAMABLE PREPARATIONS BEIERSDORF AG (DE) 2003-01-30 WO disclosed