SCHEMBL8620764

SCHEMBL8620764

CCC(C)OP(=O)(O)C(Nc1ccc2ccccc2c1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38
TSHR P16473 1/20 0.38
ACP3 P15309 4/20 0.36
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8622309 0.89 HSP90AA1 (0.42) HSP90AA1CRHBPCRHR2NCEH1TSHR
SCHEMBL8622264 0.87 HSP90AA1 (0.41) HSP90AA1CRHBPCRHR2NCEH1TSHR
SCHEMBL8623634 0.84 HSP90AA1 (0.39) HSP90AA1CRHBPCRHR2NCEH1TSHR
SCHEMBL8617884 0.84 ACP3 (0.36) NCEH1ACP3ALDH1A1NPSR1
SCHEMBL8620761 0.81 KDM4E (0.49) HSP90AA1CRHBPCRHR2TSHRMEN1
SCHEMBL8617767 0.80 HSP90AA1 (0.42) HSP90AA1CRHBPCRHR2NCEH1TSHR
SCHEMBL8621400 0.77 MAPT (0.43) CRHBPCRHR2ACP3MEN1KMT2A
SCHEMBL8617973 0.76 MAPT (0.38) CRHBPCRHR2ACP3MEN1KMT2A
SCHEMBL7358973 0.75 HSP90AA1 (0.49) HSP90AA1CRHBPCRHR2NCEH1TSHR
SCHEMBL9052382 0.73 KDM4E (0.39) HSP90AA1CRHBPCRHR2MEN1KMT2A

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