SCHEMBL8623604

SCHEMBL8623604

CCOP(=O)(OCC)C(C)(C)Nc1c(N)ccc2c(S(N)(=O)=O)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.37
CA2 P00918 8/20 0.36
NSD2 O96028 5/20 0.35
CA1 P00915 7/20 0.35
CA9 Q16790 7/20 0.35
PNMT P11086 1/20 0.34
CA12 O43570 6/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
LDHA P00338 1/20 0.31
CA4 P22748 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CYP2C9 P11712 1/20 0.31
CA6 P23280 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TTR P02766 1/20 0.31
CSF1R P07333 1/20 0.30

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
SCHEMBL9037996 0.87 CA12 (0.44) CA2CA1CA9CA12KDM4E
SCHEMBL8617972 0.84 CA2 (0.39) CDK2CA2CA1CA9PNMT
SCHEMBL8617656 0.81 CDK2 (0.38) CDK2CA2NSD2CA1CA9
SCHEMBL8621122 0.79 MAPT (0.44) CA2CA1CA9CA12KDM4E
SCHEMBL8623611 0.79 CDK2 (0.38) CDK2CA2NSD2CA1CA9
SCHEMBL8622818 0.79 CA2 (0.38) CDK2CA2CA1CA9CA12
SCHEMBL8619753 0.75 CA12 (0.50) CA2CA1CA9CA12KDM4E
SCHEMBL8618700 0.75 MAPT (0.45) CA2CA1CA9CA12KDM4E
SCHEMBL9036361 0.74 CA12 (0.45) CA2CA1CA9CA12KDM4E
SCHEMBL9037282 0.73 CA2 (0.34) CDK2CA2CA1CA9CA12

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