SCHEMBL8618700

SCHEMBL8618700

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
THRB P10828 2/20 0.45
MEN1 O00255 2/20 0.45
CYP2C19 P33261 2/20 0.45
GRM6 O15303 1/20 0.45
GLA P06280 1/20 0.45
ALOX15 P16050 1/20 0.45
GRIK1 P39086 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
RECQL P46063 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIK2 Q13002 1/20 0.45

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
SCHEMBL8621122 0.92 MAPT (0.44) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL8617972 0.87 CA2 (0.39) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL8623631 0.83 MAPT (0.43) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL8618708 0.81 MAPT (0.39) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL8619762 0.81 CA12 (0.46) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL8616761 0.78 CA12 (0.50) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL8617957 0.78 MAPT (0.43) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL9036361 0.77 CA12 (0.45) MAPTTDP1KDM4ECA12CA1
SCHEMBL8620831 0.77 CA12 (0.46) MAPTKMT2AALDH1A1TDP1KDM4E
SCHEMBL8623604 0.75 CDK2 (0.37) KDM4EHPGDCA12CA1CA2

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 2 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