SCHEMBL4790578

SCHEMBL4790578

O=S(=O)(O)c1cc(O)c(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1Cl.[Na].[Na]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.64
▸ MPL P40238 5/20 0.51
▸ CTRC Q99895 1/20 0.51
▸ CTRB1 P17538 1/20 0.50
▸ ATIC P31939 3/20 0.47
▸ NSD2 O96028 3/20 0.47
▸ MMP14 P50281 2/20 0.47
▸ CASP6 P55212 2/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 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
▸ BLM P54132 1/20 0.46
▸ THRB P10828 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL4759609 0.98 CYP1A2 (0.64) CYP1A2MPLCTRCCTRB1ATIC
SCHEMBL4759611 0.85 THRB (0.56) CYP1A2MPLCTRCCTRB1ATIC
SCHEMBL5148283 0.80 CYP1A2 (0.67) CYP1A2MPLCTRCCTRB1ATIC
SCHEMBL11754648 0.80 CYP1A2 (0.67) CYP1A2MPLCTRCCTRB1ATIC
SCHEMBL7764245 0.77 CYP1A2 (0.63) CYP1A2MPLCTRCCTRB1ATIC
SCHEMBL7763972 0.77 CYP1A2 (0.63) CYP1A2MPLCTRCCTRB1ATIC
SCHEMBL6654290 0.77 CTRB1 (0.82) CYP1A2MPLCTRCCTRB1ATIC
SCHEMBL29377176 0.76 CYP1A2 (0.69) CYP1A2MPLCTRCCTRB1ATIC
SCHEMBL29670503 0.76 NSD2 (0.62) CYP1A2MPLCTRCCTRB1ATIC
SCHEMBL14025002 0.76 CYP1A2 (0.64) CYP1A2MPLCTRCCTRB1ATIC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080314409-A1 METHOD FOR WASHING A GLASS CONTAINER DIVERSEY, INC. (FORMERLY KNOWN AS JOHNSONDIVERSEY, INC.) 2008-12-25 — — US disclosed
WO-2007137250-A1 A METHOD FOR WASHING A GLASS CONTAINER JOHNSONDIVERSEY, INC. (US) 2007-11-29 — — WO disclosed
EP-1859873-A1 Method and apparatus for washing a glass container JohnsonDiversey, Inc. (US) 2007-11-28 — — EP disclosed
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