SCHEMBL8316618

SCHEMBL8316618

COC(=O)C(C)Nc1ccc([N+](=O)[O-])c(N[C@@H](C)C(=O)OC)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
HTT P42858 1/20 0.44
BRD4 O60885 5/20 0.44
ALDH1A1 P00352 2/20 0.43
NTRK1 P04629 1/20 0.37
KMT2A Q03164 1/20 0.37
TXNRD1 Q16881 1/20 0.37
GLA P06280 1/20 0.36
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL9111109 1.00 MAPT (0.47) MAPTHTTBRD4ALDH1A1NTRK1
SCHEMBL9110706 0.85 MAPT (0.65) MAPTHTTALDH1A1KMT2ATXNRD1
SCHEMBL8313767 0.85 MAPT (0.65) MAPTHTTALDH1A1KMT2ATXNRD1
SCHEMBL13731224 0.85 MAPT (0.49) MAPTHTTALDH1A1KMT2ATXNRD1
SCHEMBL22770018 0.85 MAPT (0.46) MAPTHTTALDH1A1KMT2ATXNRD1
SCHEMBL13731227 0.85 MAPT (0.49) MAPTHTTALDH1A1KMT2ATXNRD1
SCHEMBL15472354 0.83 MAPT (0.48) MAPTHTTBRD4ALDH1A1KMT2A
SCHEMBL15466529 0.82 MAPT (0.55) MAPTHTTALDH1A1KMT2A
SCHEMBL13732751 0.82 MAPT (0.55) MAPTHTTALDH1A1KMT2A
SCHEMBL16563740 0.78 ALDH1A1 (0.61) MAPTHTTALDH1A1KMT2A

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
EP-0590428-B1 Azaquinoxalines, process for their preparation, and their use HOECHST AG (DE) 1999-12-15 EP disclosed
US-5424311-A A viricides for treating viral diseases; HIV enzyme inhibitor HOESCHST AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed
EP-0590428-A1 Azaquinoxalines, process for their preparation, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed