SCHEMBL7248489

SCHEMBL7248489

Cc1ccc(Nc2cc([N+](=O)[O-])ccc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 4/20 0.58
MEN1 O00255 3/20 0.58
GFER P55789 2/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ATM Q13315 1/20 0.58
MAPK1 P28482 3/20 0.56
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 2/20 0.53
ACHE P22303 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TSHR P16473 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
JAK2 O60674 1/20 0.51
MITF O75030 1/20 0.51
PAX8 Q06710 1/20 0.51
LMNA P02545 2/20 0.50

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
SCHEMBL27927838 0.84 MAPT (0.79) MAPTKMT2ATDP1MEN1GFER
SCHEMBL19221483 0.83 L3MBTL1 (0.57) MAPTKMT2ATDP1MEN1GFER
SCHEMBL6002470 0.81 MAPT (0.73) MAPTKMT2ATDP1MEN1GFER
SCHEMBL21904781 0.80 BCL6 (0.60) MAPTKMT2ATDP1MEN1GFER
SCHEMBL28992855 0.80 MAPT (0.54) MAPTKMT2ATDP1MEN1GFER
SCHEMBL4626757 0.79 HSD17B10 (0.75) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL7708956 0.79 MAPT (0.63) MAPTKMT2ATDP1MEN1GFER
SCHEMBL28992860 0.79 MAPT (0.53) MAPTKMT2ATDP1MEN1GFER
SCHEMBL2614942 0.76 TDP1 (0.58) MAPTKMT2ATDP1MEN1GFER
SCHEMBL30692252 0.76 TDP1 (0.58) MAPTKMT2ATDP1MEN1GFER

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-6617453-B1 Preparing these triphendioxazine compounds by a cyclization step conducted in the presence of manganese dioxide and concentrated sulphuric acid. CLARIANT FINANCE (BVI) LIMITED (VG) 2003-09-09 US disclosed