SCHEMBL9038291

SCHEMBL9038291

CCOP(=O)(CNc1c(N)cc([N+](=O)[O-])c2c(S(N)(=O)=O)cccc12)OCC.CCOP(=O)(OCC)C(CC)Nc1c(N)cc([N+](=O)[O-])c2c(S(N)(=O)=O)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 14/20 0.41
CA1 P00915 14/20 0.41
CA2 P00918 14/20 0.41
CA9 Q16790 14/20 0.41
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
GRM6 O15303 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 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
SCHEMBL8620831 0.94 CA12 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL8617957 0.92 MAPT (0.43) CA12CA1CA2CA9MAPT
SCHEMBL8619762 0.88 CA12 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL8623631 0.86 MAPT (0.43) CA12CA1CA2CA9MAPT
SCHEMBL9037445 0.85 CA12 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL9037282 0.83 CA2 (0.34) CA12CA1CA2CA9
SCHEMBL8620056 0.82 CA12 (0.49) CA12CA1CA2CA9MAPT
SCHEMBL8620840 0.79 MAPT (0.39) CA12CA1CA2CA9MAPT
SCHEMBL8623643 0.79 CA12 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL8624112 0.79 CA12 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696289-A1 BENZO F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1996-02-14 EP disclosed