SCHEMBL2964281

SCHEMBL2964281

Nc1cccc(S(N)(=O)=O)c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.61
CA1 P00915 8/20 0.61
CA9 Q16790 8/20 0.61
CA12 O43570 6/20 0.61
CA4 P22748 4/20 0.61
CA6 P23280 4/20 0.61
CA5A P35218 3/20 0.61
CA7 P43166 3/20 0.61
CA5B Q9Y2D0 3/20 0.61
CA14 Q9ULX7 2/20 0.61
CYP2C9 P11712 1/20 0.61
GAA P10253 1/20 0.47
HTR6 P50406 1/20 0.46
STAT3 P40763 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.43
PTPRC P08575 1/20 0.41
ADORA2A P29274 1/20 0.41
CA3 P07451 1/20 0.40
PLA2G7 Q13093 1/20 0.40
CA13 Q8N1Q1 1/20 0.40

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
SCHEMBL15571015 0.90 CA2 (0.53) CA2CA1CA9CA12CA4
SCHEMBL27895889 0.88 CA2 (0.52) CA2CA1CA9CA12CA4
SCHEMBL6918363 0.86 GAA (0.59) CA2CA1CA9CA12CA4
SCHEMBL27561452 0.81 TTR (0.53) CA2CA1CA9CA12CA4
SCHEMBL8976123 0.81 CA2 (0.52) CA2CA1CA9CA12CA4
SCHEMBL4759798 0.81 CASP1 (0.48) CA2CA1CA9CA12CA4
Benzene SCHEMBL28206680 0.79 CA2 (0.95) CA2CA1CA9CA12CA4
Hydrochloric Acid SCHEMBL28877129 0.78 CA2 (0.43) CA2CA1CA9CA12CA4
SCHEMBL30074528 0.77 CA2 (1.00) CA2CA1CA9CA12CA4
SCHEMBL183126 0.77 CA2 (1.00) CA2CA1CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820850-A1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-05-19 EP disclosed
WO-2020011816-A1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2020-01-16 WO disclosed
US-7770534-B2 Changed condition indicator THERMOPROX 2010-08-10 US disclosed
EP-1994385-A2 CHANGED CONDITION INDICATOR Cooperman, Isadore (US) 2008-11-26 EP disclosed
WO-2007106463-A2 CHANGED CONDITION INDICATOR COOPERMAN ISADORE (US) 2007-09-20 WO disclosed
US-20070151502-A1 Changed condition indicator THERMOPROX 2007-07-05 US disclosed