SCHEMBL7965004

SCHEMBL7965004

COC(=O)C(O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRM4 Q14833 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 3/20 0.44
CA1 P00915 1/20 0.44
MMP2 P08253 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
VCAM1 P19320 1/20 0.43
EPAS1 Q99814 1/20 0.42
GAA P10253 2/20 0.41
RECQL P46063 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 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
SCHEMBL7976506 0.86 SMN1; SMN2 (0.47) GRM8GRM6GRM4SMN1; SMN2ALDH1A1
SCHEMBL14797548 0.86 SMN1; SMN2 (0.50) GRM8GRM6GRM4SMN1; SMN2ALDH1A1
SCHEMBL7975219 0.84 SMN1; SMN2 (0.46) GRM8GRM6GRM4SMN1; SMN2ALDH1A1
SCHEMBL7245339 0.83 ALDH1A1 (0.60) GRM8GRM6GRM4SMN1; SMN2ALDH1A1
SCHEMBL7383304 0.80 ALDH1A1 (0.51) GRM8GRM6GRM4SMN1; SMN2ALDH1A1
SCHEMBL2340870 0.79 EPAS1 (0.56) GRM8GRM6GRM4SMN1; SMN2ALDH1A1
SCHEMBL18111369 0.77 SMN1; SMN2 (0.59) GRM8GRM6GRM4SMN1; SMN2ALDH1A1
SCHEMBL10347723 0.76 ALDH1A1 (0.50) GRM8GRM6GRM4SMN1; SMN2ALDH1A1
SCHEMBL27680656 0.76 SMN1; SMN2 (0.51) GRM8GRM6GRM4SMN1; SMN2ALDH1A1
SCHEMBL27624872 0.76 ALDH1A1 (0.54) GRM8GRM6GRM4SMN1; SMN2ALDH1A1

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-2001055138-A1 AZOLE DERIVATIVES, THEIR PREPARATION AND USE SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed