SCHEMBL8926255

SCHEMBL8926255

CS(=O)(=O)c1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 1/20 0.47
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
PTGS2 P35354 11/20 0.44
ALDH1A1 P00352 1/20 0.43
GYS1 P13807 1/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
ILK Q13418 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL5078441 0.85 PTGS2 (0.53) PTGS2ALDH1A1
SCHEMBL8766048 0.85 PTGS2 (0.53) PTGS2
SCHEMBL6180483 0.85 PTGS2 (0.53) PTGS2ALDH1A1
SCHEMBL8925681 0.84 GSK3B (0.44) PSDABCC8KCNJ11PTGS2ALDH1A1
SCHEMBL8926251 0.84 MEN1 (0.49) PSDABCC8KCNJ11PTGS2ALDH1A1
SCHEMBL4212020 0.84 PTGS2 (0.52) PTGS2ALDH1A1
SCHEMBL8925320 0.81 PTGS2 (0.47) PTGS2
SCHEMBL8640384 0.79 PTGS2 (0.45) PTGS2CA12CA1CA2CA9
SCHEMBL8925255 0.77 PTGS2 (0.41) PTGS2
SCHEMBL8764854 0.77 PTGS2 (0.53) PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed