SCHEMBL8663701

SCHEMBL8663701

O=S(=O)(O)c1ccccc1C=C(Nc1nc(-c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1)c1ccccc1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
HTT P42858 1/20 0.51
CA12 O43570 7/20 0.49
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA9 Q16790 7/20 0.49
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 1/20 0.43
PIK3CA P42336 2/20 0.43
TSHR P16473 4/20 0.42
USP2 O75604 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
ALOX15 P16050 2/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL4778062 0.96 CA12 (0.53) LMNAHTTCA12CA1CA2
SCHEMBL8573230 0.84 LMNA (0.53) LMNAHTTCA12CA1CA2
SCHEMBL19611819 0.84 CA12 (0.45) LMNAHTTCA12CA1CA2
SCHEMBL5190368 0.83 CA12 (0.64) LMNAHTTCA12CA1CA2
SCHEMBL29437100 0.83 CA12 (0.64) LMNAHTTCA12CA1CA2
SCHEMBL6400413 0.83 TTR (0.40) CA12CA1CA2CA9POLB
SCHEMBL8663705 0.79 LMNA (0.51) LMNAHTTCA12CA1CA2
SCHEMBL16240781 0.79 LMNA (0.42) LMNAHTTCA12CA1CA2
SCHEMBL8654292 0.76 CA1 (0.39) HTTCA12CA1CA2CA9
SCHEMBL8406469 0.76 LMNA (0.54) LMNAHTTCA12CA1CA2

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-5837670-A AQUEOUS WASH LIQUOR COMPRISING ALKYL SULFATE SURFACTANT, SULFONATED PHTHALOCYANINE, AMIDE SUDS SUPPRESSOR PROCTER & GAMBLE COMPANY, THE 1998-11-17 US disclosed