SCHEMBL28864015

SCHEMBL28864015

CCn1c2ccc([N+](=O)[O-])cc2c2cccc([N+](=O)[O-])c21

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
KMT2A Q03164 6/20 0.69
MEN1 O00255 4/20 0.69
LMNA P02545 2/20 0.69
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.52
CYP1A2 P05177 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
NQO2 P16083 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PLK1 P53350 1/20 0.43

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
SCHEMBL27604177 0.87 MAPT (0.69) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL27779684 0.86 MAPT (0.67) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL6285263 0.85 MAPT (0.57) MAPTKMT2AMEN1LMNAL3MBTL1
SCHEMBL29947976 0.85 MAPT (0.57) MAPTKMT2AMEN1LMNAL3MBTL1
SCHEMBL29539965 0.83 MAPT (0.85) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL148001 0.83 MAPT (0.85) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL29666347 0.82 MAPT (1.00) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL149167 0.82 MAPT (1.00) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL29767664 0.77 MAPT (0.81) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL28710625 0.77 MAPT (0.81) MAPTKMT2AMEN1LMNAPOLB

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-108455760-A A method of degradation nitration waste water COD 银川百泓新材料科技有限公司 2018-08-28 CN disclosed