SCHEMBL8619769

SCHEMBL8619769

CCC(C)OP(=O)(O)CNc1c([N+](=O)[O-])ccc2c(S(N)(=O)=O)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.36
MAPT P10636 8/20 0.35
KMT2A Q03164 3/20 0.34
PKM P14618 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
BLM P54132 1/20 0.34
CA2 P00918 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
GRM6 O15303 1/20 0.33
GLA P06280 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL8623637 0.88 MAPT (0.40) MAPTKMT2APKMKDM4EHPGD
SCHEMBL8617666 0.87 CDK2 (0.39) CDK2KMT2AKDM4ECYP1A2CA2
SCHEMBL8617963 0.86 MAPT (0.39) MAPTKMT2APKMKDM4EHPGD
SCHEMBL8617977 0.85 CDK2 (0.34) CDK2MAPTKMT2APKMKDM4E
SCHEMBL8623647 0.85 CDK2 (0.34) CDK2MAPTKMT2APKMKDM4E
SCHEMBL8623629 0.82 CA12 (0.36) CDK2MAPTKMT2APKMKDM4E
SCHEMBL8619763 0.81 CA2 (0.40) CDK2MAPTKMT2APKMKDM4E
SCHEMBL8616429 0.81 MAPT (0.42) MAPTKMT2AKDM4EHPGDCYP1A2
SCHEMBL8621708 0.80 MAPT (0.50) MAPTKMT2AKDM4EHPGDCYP1A2
SCHEMBL9037445 0.78 CA12 (0.42) MAPTKMT2APKMKDM4EHPGD

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
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed