SCHEMBL6209548

SCHEMBL6209548

O=[N+](O)c1ccc(COS(=O)(=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.42
CA9 Q16790 5/20 0.42
IDO1 P14902 2/20 0.41
AKR1C3 P42330 1/20 0.40
CA1 P00915 5/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 1/20 0.39
CYP19A1 P11511 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAOB P27338 1/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL29003504 0.82 IDO1 (0.58) CA2CA9IDO1AKR1C3CA1
SCHEMBL6215517 0.80 MAOB (0.40) ALDH1A1CYP1A2CYP2C19MAOBTSHR
SCHEMBL29003483 0.73 CA2 (0.50) CA2CA9IDO1CA1CA12
SCHEMBL866412 0.72 CA2 (0.47) CA2CA9CA1CA12ALDH1A1
SCHEMBL29003471 0.72 KMT2A (0.51) CA2CA9IDO1CA1CA12
SCHEMBL29003535 0.72 CA2 (0.49) CA2CA9IDO1CA1CA12
SCHEMBL6209542 0.71 IDO1 (0.58) CA2CA9IDO1AKR1C3CA1
Potassium Ion SCHEMBL12483362 0.71 CA2 (0.61) CA2CA9IDO1CA1CA12
SCHEMBL2635217 0.71 CA2 (0.61) CA2CA9IDO1CA1CA12
SCHEMBL5707068 0.71 CA2 (0.61) CA2CA9IDO1CA1CA12

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
CN-100474110-C Selected acid generators and their use in radiation-sensitive element imaging processes EASTMAN KODAK CO (US) 2009-04-01 CN disclosed
CN-1656426-A Selected acid generators and their use in radiation-sensitive element imaging processes KODAK POLYCHROME GRAPHICS LLC (US) 2005-08-17 CN disclosed
EP-1508072-A2 ACID GENERATING AGENTS AND THEIR USE IN PROCESSES FOR IMAGING RADIATION-SENSITIVE ELEMENTS Kodak Polychrome Graphics LLC (US) 2005-02-23 EP disclosed
US-6787281-B2 SUCH AS 2-METHOXY-4-(PHENYLAMINO)-BENZENEDIAZONIUM DODECYL SULFATE (MSDS), WHICH DOES NOT CONTAIN OZONE DEPLETION ELEMENTS (FLUORINE, HEAVY METALS); POLLUTION CONTROL; LITHOGRAPHY KODAK POLYCHROME GRAPHICS LLC 2004-09-07 US disclosed
WO-2004036314-A2 ACID GENERATING AGENTS AND THEIR USE IN PROCESSES FOR IMAGING RADIATION-SENSITIVE ELEMENTS KODAK POLYCHROME GRAPHICS LLC (US) 2004-04-29 WO disclosed
US-20030219673-A1 Selected acid generating agents and their use in processes for imaging radiation-sensitive elements FPC INC. 2003-11-27 US disclosed