SCHEMBL11344666

SCHEMBL11344666

CCOc1ccccc1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 8/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PPIA P62937 1/20 0.51
PKM P14618 1/20 0.50
LMNA P02545 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
MCL1 Q07820 1/20 0.47
RECQL P46063 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL3397565 0.84 MAPT (0.64) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL11348499 0.83 MAPT (0.58) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL8970984 0.80 MAPK10 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL11343393 0.79 L3MBTL1 (0.59) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL3030415 0.77 MAPT (0.65) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL11348624 0.77 PTGS2 (0.67) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL11348720 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
Oxalic Acid SCHEMBL27570437 0.76 GAA (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL11521594 0.76 MAPK10 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL11025851 0.75 L3MBTL1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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
US-4304939-A Preparation of N-phenyl-N-alkylphenylenediamines UOP INC. (US) 1981-12-08 US disclosed