SCHEMBL9255973

SCHEMBL9255973

CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])ccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
DAO P14920 1/20 0.43
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP19A1 P11511 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
SCHEMBL9259395 0.80 CA12 (0.41) CA12CA9
SCHEMBL9257826 0.79 FEN1 (0.55) PARP1CA12CA9DAOMEN1
SCHEMBL9258900 0.78 CA12 (0.43) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL9260491 0.78 CA12 (0.60) CA12CA9
SCHEMBL5167851 0.78 CA9 (0.40) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL5166002 0.78 CA12 (0.43) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL9259394 0.78 CA12 (0.46) PARP1CA12CA9MAPTPTGS2
SCHEMBL9257798 0.78 CMA1 (0.51) CA12CA9MAPT
SCHEMBL9258552 0.77 KDM4E (0.47) CA12CA9MAPTKMT2A
SCHEMBL9259975 0.77 CA9 (0.43) CA12CA9MAPT

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