SCHEMBL8620056

SCHEMBL8620056

CCOP(=O)(OCC)C(Nc1c(N)cc([N+](=O)[O-])c2c(S(N)(=O)=O)cccc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.49
CA1 P00915 12/20 0.49
CA2 P00918 12/20 0.49
CA9 Q16790 12/20 0.49
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.39
GRM6 O15303 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA1 P42261 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
SCHEMBL8616761 0.94 CA12 (0.50) CA12CA1CA2CA9TDP1
SCHEMBL8620831 0.87 CA12 (0.46) CA12CA1CA2CA9TDP1
SCHEMBL8616856 0.86 KDM4E (0.48) CA12CA1CA2CA9TDP1
SCHEMBL8623623 0.85 CA12 (0.51) CA12CA1CA2CA9TDP1
SCHEMBL8620061 0.84 MAPT (0.36) CA12CA1CA2CA9TDP1
SCHEMBL8619753 0.82 CA12 (0.50) CA12CA1CA2CA9KDM4E
SCHEMBL9038291 0.82 CA12 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL8617957 0.81 MAPT (0.43) CA12CA1CA2CA9TDP1
SCHEMBL8619762 0.81 CA12 (0.46) CA12CA1CA2CA9TDP1
SCHEMBL8621122 0.80 MAPT (0.44) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
EP-0696289-B1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1997-03-12 EP disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed