SCHEMBL2964276

SCHEMBL2964276

Nc1ccccc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.68
CA1 P00915 5/20 0.68
CA9 Q16790 5/20 0.68
CA6 P23280 3/20 0.68
CA12 O43570 3/20 0.68
CA4 P22748 2/20 0.68
CA5A P35218 2/20 0.68
CA7 P43166 2/20 0.68
CA5B Q9Y2D0 2/20 0.68
CYP2C9 P11712 1/20 0.68
CA14 Q9ULX7 1/20 0.68
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.52
ALOX5AP P20292 3/20 0.46
FEN1 P39748 3/20 0.46
HTR6 P50406 1/20 0.45
HSD17B10 Q99714 1/20 0.43
STAT3 P40763 1/20 0.43
ADORA2A P29274 2/20 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
SCHEMBL1080972 0.89 CA2 (0.61) CA2CA1CA9CA6CA12
SCHEMBL8347239 0.86 CA2 (0.58) CA2CA1CA9CA6CA12
SCHEMBL4923246 0.84 GAA (0.67) CA2CA1CA9CA6CA12
SCHEMBL672207 0.83 CA1 (0.52) CA2CA1CA9CA6CA12
SCHEMBL30074528 0.81 CA2 (1.00) CA2CA1CA9CA6CA12
SCHEMBL183126 0.81 CA2 (1.00) CA2CA1CA9CA6CA12
Methane SCHEMBL18230300 0.79 CA2 (0.95) CA2CA1CA9CA6CA12
SCHEMBL7967712 0.78 CA2 (0.50) CA2CA1CA9CA6CA12
SCHEMBL28882144 0.78 STAT3 (0.56) CA2CA1CA9CA6CA12
SCHEMBL6820364 0.78 CA2 (0.50) CA2CA1CA9CA6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1377543-A1 OXALIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-01-07 EP disclosed
WO-2002083630-A1 OXALIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-24 WO disclosed
EP-0598843-B1 ARAMID PARTICLES AS WEAR ADDITIVES DU PONT (US) 1996-03-20 EP disclosed
EP-0598843-A1 ARAMID PARTICLES AS WEAR ADDITIVES. DU PONT (US) 1994-06-01 EP disclosed
WO-1993004300-A1 ARAMID PARTICLES AS WEAR ADDITIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-04 WO disclosed