SCHEMBL27615205

SCHEMBL27615205

COc1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
MAPK1 P28482 3/20 0.56
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 5/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
CES2 O00748 1/20 0.52
LMNA P02545 5/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KCNMA1 Q12791 1/20 0.52
HPGD P15428 2/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL28147378 0.86 CES2 (0.52) HTTMAPK1GAANPSR1MAPT
SCHEMBL28487709 0.84 CES2 (0.55) HTTMAPK1GAANPSR1MAPT
SCHEMBL28113932 0.83 MAPT (0.50) HTTMAPK1GAANPSR1MAPT
SCHEMBL10436235 0.83 TUBB4A (0.54) HTTMAPK1GAAMAPTKMT2A
SCHEMBL380803 0.83 HTT (0.60) HTTMAPTKDM4EALOX15LMNA
Water SCHEMBL10360760 0.82 HTT (0.58) HTTMAPTKDM4EALOX15LMNA
Hydrochloric Acid SCHEMBL6224359 0.82 HTT (0.58) HTTMAPTKDM4EALOX15LMNA
SCHEMBL7789011 0.82 SMN1; SMN2 (0.73) HTTGAAMAPTKMT2AMEN1
SCHEMBL27741625 0.82 MAPT (0.55) HTTMAPK1GAANPSR1MAPT
SCHEMBL28174395 0.81 CYP19A1 (0.60) MAPK1MAPTKMT2AMEN1RAB9A

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-1983007-A Nonlinear optical material containing fluoropolymer DAIKIN IND LTD (JP) 2007-06-20 CN disclosed
CN-1592867-A Nonlinear optical material containing fluorine-containing polymer DAIKIN IND LTD (JP) 2005-03-09 CN disclosed