SCHEMBL7876880

SCHEMBL7876880

CN(C(=O)OCCl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
ATM Q13315 2/20 0.41
MMP14 P50281 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL8751720 0.86 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAMAPTL3MBTL1
SCHEMBL4459679 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL7870367 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL4467320 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAMAPTL3MBTL1
SCHEMBL28032524 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL1854417 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL1232308 0.80 MAPT (0.49) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL513490 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL10759692 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTL3MBTL1
SCHEMBL7878478 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAAMAPTMAPK1

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
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed