SCHEMBL1725335

SCHEMBL1725335

CC(C)(C)C(Nc1ncc(C(N)=NO)cc1Cl)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.39
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
MPL P40238 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.32
SYK P43405 1/20 0.31
F10 P00742 1/20 0.31
CA2 P00918 1/20 0.31
KMT2A Q03164 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
MEN1 O00255 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PLG P00747 2/20 0.30
PLAT P00750 1/20 0.30

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
SCHEMBL1725334 1.00 PLAU (0.39) PLAUALDH1A1GAAMPLSMN1; SMN2
SCHEMBL1726524 0.74 IRAK4 (0.44)
SCHEMBL3713462 0.74 L3MBTL1 (0.38) PLAUALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL3713461 0.74 L3MBTL1 (0.38) PLAUALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL13187662 0.72 L3MBTL1 (0.45) PLAUALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL1727214 0.70 STK17B (0.38) PLAUALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL1727216 0.70 STK17B (0.38) PLAUALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL13187666 0.70 STK17B (0.38) PLAUALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL1725825 0.70 TDP1 (0.38) PLAUALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL1725824 0.70 TDP1 (0.38) PLAUALDH1A1SMN1; SMN2KDM4EKMT2A

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
EP-2403849-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS Merck Serono S.A. (CH) 2012-01-11 EP disclosed