SCHEMBL27732012

SCHEMBL27732012

Nc1cc2c(cc1[N+](=O)[O-])NCCO2.Nc1ccc(N)c([N+](=O)[O-])n1.O=[N+]([O-])c1ccc2c(c1)NCCN2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL27758385 0.90 MAPT (0.50) MAPTTDP1MEN1POLBKMT2A
SCHEMBL27732031 0.85 MAPT (0.43) MAPTTDP1MEN1POLBKMT2A
SCHEMBL108526 0.79 MAPT (0.64) MAPTTDP1MEN1POLBKMT2A
SCHEMBL31021147 0.71 MEN1 (0.46) MAPTMEN1POLBKMT2AL3MBTL1
SCHEMBL303351 0.71 MEN1 (0.46) MAPTMEN1POLBKMT2AL3MBTL1
SCHEMBL305008 0.71 MAPT (0.54) MAPTMEN1POLBKMT2ALMNA
SCHEMBL31021148 0.71 MAPT (0.54) MAPTMEN1POLBKMT2ALMNA
Hydrochloric Acid SCHEMBL3115146 0.70 MAPT (0.53) MAPTMEN1POLBKMT2ALMNA
SCHEMBL16210562 0.69 HTT (0.50) MAPTTDP1MEN1POLBKMT2A
SCHEMBL24982 0.69 MAPT (0.49) MAPTTDP1MEN1POLBKMT2A

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-101374495-A Colorant for keratin fibers PROCTER & GAMBLE (US) 2009-02-25 CN disclosed