SCHEMBL9254804

SCHEMBL9254804

O=c1[nH]c2cc(Cl)ccc2c(=O)n1NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CYP19A1 P11511 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
SCHEMBL9257798 0.82 CMA1 (0.51) CMA1SMN1; SMN2ALDH1A1CA9CA12
SCHEMBL9261631 0.80 CMA1 (0.53) CMA1ALDH1A1CA9CA12CA1
SCHEMBL9261578 0.73 CA9 (0.51) CMA1CA9CA12CA1CA2
SCHEMBL9260491 0.69 CA12 (0.60) CA9CA12
SCHEMBL9255973 0.69 PARP1 (0.47) CA9CA12CYP19A1KMT2A
SCHEMBL7460685 0.67 CMA1 (0.68) CMA1ALDH1A1CA9CA12CA1
SCHEMBL9259394 0.67 CA12 (0.46) ALDH1A1CA9CA12GAA
SCHEMBL7460971 0.67 CMA1 (0.79) CMA1SMN1; SMN2ALDH1A1CA9CA12
SCHEMBL5166002 0.67 CA12 (0.43) ALDH1A1CA9CA12GRIN2DGRIN3B
SCHEMBL3788148 0.65 CMA1 (0.65) CMA1CA9CA12CA1CA2

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