SCHEMBL6209541

SCHEMBL6209541

O=[N+]([O-])c1ccc(COS(=O)(=O)OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA9 Q16790 4/20 0.55
CA12 O43570 3/20 0.55
CA7 P43166 2/20 0.55
AKR1C3 P42330 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.52
TSHR P16473 1/20 0.48
CYP19A1 P11511 2/20 0.48
CA14 Q9ULX7 2/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6209542 0.85 IDO1 (0.58) IDO1CA1CA2CA9CA12
SCHEMBL29003504 0.85 IDO1 (0.58) IDO1CA1CA2CA9CA12
SCHEMBL1827937 0.85 IDO1 (0.58) IDO1CA1CA2CA9CA12
SCHEMBL11858311 0.84 IDO1 (0.56) IDO1CA1CA2CA9CA12
SCHEMBL10854896 0.84 IDO1 (0.56) IDO1CA1CA2CA9CA12
SCHEMBL9861066 0.82 IDO1 (0.54) IDO1CA1CA2CA9CA12
SCHEMBL9861078 0.82 IDO1 (0.54) IDO1CA1CA2CA9CA12
SCHEMBL5912986 0.81 CA2 (0.62) IDO1CA1CA2CA9CA12
SCHEMBL8400160 0.80 MEN1 (0.53) IDO1CA1CA2CA9CA12
SCHEMBL8970631 0.80 HTT (0.66) IDO1CA1CA2CA9CA12

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