SCHEMBL9080448

SCHEMBL9080448

CCOC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 8/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 4/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 2/20 0.47
GLO1 Q04760 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL20767368 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL11278115 0.84 TDP1 (0.57) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL6983176 0.84 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL6652311 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL2062103 0.83 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL25837923 0.83 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
Malonic Acid Diethyl Ester SCHEMBL28326884 0.83 MAPT (0.47) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL28043908 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL12709974 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL9083393 0.80 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTLMNAGAA

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-1996015115-A1 HERBICIDAL PYRAZOLE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed