SCHEMBL28002244

SCHEMBL28002244

CCOc1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
POLB P06746 5/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
TDP1 Q9NUW8 3/20 0.65
ALDH1A1 P00352 5/20 0.64
LMNA P02545 2/20 0.64
PTGS2 P35354 1/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL1277890 0.88 MAPT (0.77) MAPTPOLBMEN1KMT2ATDP1
SCHEMBL2911533 0.85 MAPT (0.68) MAPTPOLBMEN1KMT2ATDP1
SCHEMBL717794 0.83 MAPT (0.71) MAPTPOLBMEN1KMT2ATDP1
SCHEMBL16816933 0.83 MAPT (0.76) MAPTPOLBMEN1KMT2ATDP1
SCHEMBL7037581 0.82 MAPT (0.68) MAPTPOLBMEN1KMT2ATDP1
SCHEMBL737722 0.80 MAPT (1.00) MAPTPOLBMEN1KMT2ATDP1
SCHEMBL29409289 0.80 MAPT (1.00) MAPTPOLBMEN1KMT2ATDP1
SCHEMBL2774063 0.78 MAPT (1.00) MAPTPOLBMEN1KMT2ATDP1
SCHEMBL29655075 0.78 MAPT (0.54) MAPTPOLBMEN1KMT2ATDP1
SCHEMBL5952772 0.78 TDP1 (0.79) MAPTPOLBMEN1KMT2ATDP1

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
CN-104507473-A Antiviral drug for treatment of arenavirus infection SIGA TECHNOLOGIES INC 2015-04-08 CN disclosed