SCHEMBL9257798

SCHEMBL9257798

O=c1[nH]c2cc(Cl)ccc2c(=O)n1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.51
CA9 Q16790 4/20 0.45
CA12 O43570 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FLT1 P17948 3/20 0.43
FLT4 P35916 3/20 0.43
KDR P35968 3/20 0.43
HTT P42858 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9261631 0.85 CMA1 (0.53) CMA1CA9CA12ALDH1A1HTT
SCHEMBL9261578 0.82 CA9 (0.51) CMA1CA9CA12MAPTFLT1
SCHEMBL9254804 0.82 CMA1 (0.46) CMA1CA9CA12ALDH1A1GRIN2D
SCHEMBL7460971 0.81 CMA1 (0.79) CMA1CA9CA12MAPTALDH1A1
SCHEMBL9255973 0.78 PARP1 (0.47) CA9CA12MAPT
SCHEMBL7460750 0.74 CMA1 (0.75) CMA1CA9CA12MAPTALDH1A1
SCHEMBL6400123 0.72 GUSB (0.52) CA9CA12MAPTALDH1A1
SCHEMBL7463672 0.68 CMA1 (1.00) CMA1CA9CA12CA1CA2
SCHEMBL9259823 0.67 CA9 (0.55) CMA1CA9CA12ALDH1A1FLT1
SCHEMBL9252371 0.67 FEN1 (0.44) CMA1

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