SCHEMBL4615254

SCHEMBL4615254

NC(=NO)C1CCCN(C(=O)c2ccc(F)c(F)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
GLA P06280 1/20 0.54
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PDE2A O00408 1/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4227282 1.00 HSD17B10 (0.54) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL3578457 0.88 GLA (0.70) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL3578454 0.88 GLA (0.70) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL1969349 0.86 GLA (0.57) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL4615244 0.86 GLA (0.57) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL5031105 0.84 HSD11B1 (0.55) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL5033309 0.81 GLA (0.49) HSD17B10GLAALDH1A1MEN1KMT2A
SCHEMBL1970300 0.81 GLA (0.49) HSD17B10GLAALDH1A1MEN1KMT2A
SCHEMBL4227278 0.79 HSD11B1 (0.50) HSD17B10GLAHSD11B1ALDH1A1MEN1
SCHEMBL3390856 0.78 KMT2A (0.55) HSD17B10HSD11B1ALDH1A1MEN1KMT2A

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
EP-1893606-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-05 EP disclosed
WO-2006123255-A2 SUBSTITUTED OXADIAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO disclosed