SCHEMBL8746487

SCHEMBL8746487

O=S(=O)(O)c1cc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.56
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
CA9 Q16790 5/20 0.56
LMNA P02545 4/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 6/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.46
GAA P10253 3/20 0.46
PTGS2 P35354 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 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
SCHEMBL9624141 0.99 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL9624135 0.99 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL6850691 0.96 CA12 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL5955302 0.96 CA12 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL5955270 0.96 CA12 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL1234766 0.96 CA12 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL461642 0.95 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL29943666 0.95 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL30398437 0.95 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL461641 0.95 CA12 (0.61) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167205-B1 STABLE LIQUID DETERGENTS CONTAINING ANIONIC SURFACTANT AND MONOSULFONATED BRIGHTENER THE PROCTER & GAMBLE COMPANY (US) 1992-03-11 EP claimed
EP-0167205-A2 Stable liquid detergents containing anionic surfactant and monosulfonated brightener THE PROCTER & GAMBLE COMPANY (US) 1986-01-08 EP claimed
US-4559169-A STILBENE SULFONATE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1985-12-17 US claimed
EP-0237119-B2 Stable liquid detergent composition containing hydrophobic brightener PROCTER & GAMBLE (US) 1997-02-19 EP disclosed
EP-0167205-B1 STABLE LIQUID DETERGENTS CONTAINING ANIONIC SURFACTANT AND MONOSULFONATED BRIGHTENER THE PROCTER & GAMBLE COMPANY (US) 1992-03-11 EP disclosed
EP-0167205-A2 Stable liquid detergents containing anionic surfactant and monosulfonated brightener THE PROCTER & GAMBLE COMPANY (US) 1986-01-08 EP disclosed
US-4559169-A STILBENE SULFONATE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1985-12-17 US disclosed
US-4559169-A STILBENE SULFONATE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1985-12-17 US disclosed