SCHEMBL27363399

SCHEMBL27363399

Nc1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.55
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 2/20 0.48
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ADRA2C P18825 1/20 0.45
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL2127571 0.96 ALDH1A1 (0.52) NR3C2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL27521660 0.94 NPSR1 (0.50) NR3C2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL9001714 0.88 NR3C2 (0.62) NR3C2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL1003807 0.88 NPSR1 (0.61) NR3C2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL27559939 0.85 CA12 (0.52) NR3C2TDP1CYP2C19KMT2AMEN1
SCHEMBL28324842 0.84 NR3C2 (0.58) NR3C2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL2129928 0.84 PBRM1 (0.58) NR3C2ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL9001693 0.83 NPSR1 (0.61) NR3C2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL2113010 0.82 ESR1 (0.64) NR3C2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL28168615 0.82 TDP1 (0.48) ALDH1A1L3MBTL1TDP1MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1057997-C Process for preparing p-nitroaromatic amides and products thereof SOLUTIA INC (US) 2000-11-01 CN disclosed
CN-1098402-A Preparation method and product thereof to the nitryl aromatic acid amides MONSANTO CO (US) 1995-02-08 CN disclosed