SCHEMBL27728263

SCHEMBL27728263

NC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 6/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
PKM P14618 1/20 0.57
PAX8 Q06710 1/20 0.57
KIF11 P52732 1/20 0.56
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 3/20 0.50
MITF O75030 2/20 0.50
HSP90AA1 P07900 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KCNH2 Q12809 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL13279936 0.87 MAPT (0.74) HPGDALOX12L3MBTL1MAPTNPC1
SCHEMBL5466293 0.84 TSHR (0.79) TSHRHPGDALOX12L3MBTL1MAPT
SCHEMBL13465388 0.83 MAPT (0.70) HPGDALOX12L3MBTL1MAPTNPC1
SCHEMBL20049529 0.82 HPGD (0.78) TSHRHPGDALOX12L3MBTL1MAPT
SCHEMBL3094251 0.81 RHOA (0.57) TSHRL3MBTL1MAPTLMNAGAA
SCHEMBL11427008 0.81 ATIC (0.65) TSHRHPGDMAPTPKMLMNA
SCHEMBL30514033 0.80 PARP1 (0.56) TSHRMEN1KMT2ACYP3A4
SCHEMBL882954 0.79 TSHR (0.54) TSHRMAPTNPC1RAB9APKM
SCHEMBL14040938 0.78 HPGD (0.66) HPGDALOX12L3MBTL1MAPTNPC1
SCHEMBL11482551 0.78 HPGD (0.66) TSHRHPGDALOX12L3MBTL1MAPT

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-101203484-A Amide derivative and pesticide containing such compound MITSUI CHEMICALS INC (JP) 2008-06-18 CN disclosed