SCHEMBL6846833

SCHEMBL6846833

CS(=O)(=O)NC1([N+](=O)[O-])C=CC=C(c2ccccc2)C1O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL6850656 0.72 CRHBP (0.34) PTGS1PTGS2
Bromide SCHEMBL6846809 0.71 CRHBP (0.33) PTGS1PTGS2
SCHEMBL28424483 0.61 PTGS2 (0.32) PTGS2
SCHEMBL28401560 0.60 NPC1 (0.34)
Sulfuric Acid SCHEMBL28299661 0.58 KDM4E (0.37)
Biphenyl SCHEMBL21462355 0.57 ALDH1A1 (0.53) PTGS2
SCHEMBL7814265 0.56 ALDH1A1 (0.33)
SCHEMBL31211826 0.56 CRHBP (0.34)
Nitrobenzene SCHEMBL27560682 0.55 ALDH1A1 (0.70)
SCHEMBL27483186 0.55 ALDH1A1 (0.50) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed