SCHEMBL8772881

SCHEMBL8772881

Nc1cccc(S(=O)(=O)c2cccc(N)c2Oc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
HTR6 P50406 1/20 0.47
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 3/20 0.44
CA7 P43166 2/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA9 Q16790 4/20 0.42
CA4 P22748 2/20 0.42
CYP2C9 P11712 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
SOS1 Q07889 1/20 0.42
MAOB P27338 1/20 0.40
MAOA P21397 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL461322 1.00 GAA (0.53) GAAHTR6CA1CA2CA12
SCHEMBL7745328 0.92 HTR6 (0.61) GAAHTR6CA1CA2CA12
SCHEMBL15283066 0.85 GAA (0.39) GAAHTR6CA1CA2CA12
SCHEMBL10342802 0.82 HTR6 (0.53) GAAHTR6CA1CA2CA12
SCHEMBL3272221 0.81 CA1 (0.42) GAAHTR6CA1CA2CA12
SCHEMBL30618213 0.81 CA1 (0.42) GAAHTR6CA1CA2CA12
SCHEMBL7776603 0.80 LTA4H (0.52) GAACA1CA2CA12CA7
SCHEMBL10411384 0.80 LMNA (0.43) GAAHTR6CA1CA2CA12
SCHEMBL711861 0.79 CA1 (0.44) CA1CA2CA12CA7CA13
SCHEMBL6735347 0.78 CA1 (0.41) GAAHTR6CA1CA2CA12

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-1670850-B1 POLYIMIDE SULFONES, METHOD AND ARTICLES MADE THEREFROM SABIC INNOVATIVE PLASTICS IP (NL) 2013-05-08 EP claimed
EP-0298116-B1 LIGHT FILTERS FOR MICROELECTRONICS BREWER SCIENCE INC (US) 1997-08-27 EP claimed