SCHEMBL9258900

SCHEMBL9258900

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GRM6 O15303 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
SCHEMBL9260491 0.86 CA12 (0.60) CA12CA9
SCHEMBL9259394 0.86 CA12 (0.46) CA12CA9ALDH1A1MAPTPTGS2
SCHEMBL2389058 0.84 CA12 (0.64) CA12CA9MEN1CYP2C19KMT2A
SCHEMBL5166002 0.83 CA12 (0.43) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL5167851 0.83 CA9 (0.40) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL5165208 0.81 NQO2 (0.42) CA12CA9KDM4EALDH1A1MAPT
SCHEMBL5167310 0.81 ALDH1A1 (0.40) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL5455598 0.80 GRIK1 (0.51) CA12CA9GRIK1GRIA1GRIA2
SCHEMBL5179666 0.80 CA12 (0.38) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL5179781 0.79 MAPT (0.46) ALDH1A1MAPTCYP2C19KMT2A

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