SCHEMBL9259394

SCHEMBL9259394

CS(=O)(=O)Nn1c(=O)[nH]c2cc(F)c([N+](=O)[O-])cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
PARG Q86W56 1/20 0.37
VCAM1 P19320 1/20 0.37
MPO P05164 1/20 0.34
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS2 P35354 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL5166002 0.95 CA12 (0.43) CA12CA9PARGVCAM1MPO
SCHEMBL2389058 0.86 CA12 (0.64) CA12CA9LMNANPSR1PARP1
SCHEMBL9258900 0.86 CA12 (0.43) CA12CA9ALDH1A1MAPTPTGS2
SCHEMBL9260491 0.86 CA12 (0.60) CA12CA9
SCHEMBL5167851 0.83 CA9 (0.40) CA12CA9ALDH1A1LMNAMAPT
SCHEMBL5167310 0.81 ALDH1A1 (0.40) CA12CA9ALDH1A1LMNAMAPT
SCHEMBL5165208 0.81 NQO2 (0.42) CA12CA9MPOALDH1A1LMNA
SCHEMBL5455598 0.80 GRIK1 (0.51) CA12CA9
SCHEMBL5179666 0.80 CA12 (0.38) CA12CA9ALDH1A1LMNAMAPT
SCHEMBL5182233 0.79 MAPT (0.41) CA12CA9GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995019346-A1 QUINAZOLINE-2,4-DIONES SANDOZ LTD. (CH) 1995-07-20 WO claimed
WO-1995019346-A1 QUINAZOLINE-2,4-DIONES SANDOZ LTD. (CH) 1995-07-20 WO disclosed