SCHEMBL8623643

SCHEMBL8623643

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 15/20 0.47
CA1 P00915 15/20 0.47
CA2 P00918 15/20 0.47
CA9 Q16790 15/20 0.47
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
MEN1 O00255 1/20 0.34
GRM6 O15303 1/20 0.34

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
SCHEMBL9037445 0.93 CA12 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL8619762 0.87 CA12 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL8623623 0.87 CA12 (0.51) CA12CA1CA2CA9MAPT
SCHEMBL8622818 0.86 CA2 (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL8620831 0.84 CA12 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL8623647 0.84 CDK2 (0.34) CA12CA1CA2CA9MAPT
SCHEMBL8619763 0.82 CA2 (0.40) CA12CA1CA2CA9MAPT
SCHEMBL8617972 0.81 CA2 (0.39) CA12CA1CA2CA9MAPT
SCHEMBL9037282 0.80 CA2 (0.34) CA12CA1CA2CA9
SCHEMBL9036361 0.80 CA12 (0.45) CA12CA1CA2CA9MAPT

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