SCHEMBL8623623

SCHEMBL8623623

CCOP(=O)(OCC)C(Nc1c([N+](=O)[O-])ccc2c(S(N)(=O)=O)cccc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.51
CA1 P00915 12/20 0.51
CA2 P00918 12/20 0.51
CA9 Q16790 12/20 0.51
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL9036361 0.93 CA12 (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL8616761 0.88 CA12 (0.50) CA12CA1CA2CA9KDM4E
SCHEMBL8619753 0.88 CA12 (0.50) CA12CA1CA2CA9KDM4E
SCHEMBL8623643 0.87 CA12 (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL8620056 0.85 CA12 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL8623629 0.83 CA12 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL8621394 0.81 KDM4E (0.50) CA12CA1CA2CA9KDM4E
SCHEMBL9037445 0.80 CA12 (0.42) CA12CA1CA2CA9KDM4E
SCHEMBL9037996 0.80 CA12 (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL8616856 0.79 KDM4E (0.48) CA12CA1CA2CA9KDM4E

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