SCHEMBL365712

SCHEMBL365712

CNC(=O)c1cncc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.45
NUDT1 P36639 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
PDE4D Q08499 3/20 0.43
POLB P06746 1/20 0.43
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
PTK2 Q05397 1/20 0.39
HPGDS O60760 1/20 0.38
ULK1 O75385 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
ULK2 Q8IYT8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1515815 0.76 POLB (0.49) PLK1ALDH1A1POLBLMNA
SCHEMBL1534502 0.74 RAB9A (0.61) PLK1ALDH1A1HPGDPOLBLMNA
SCHEMBL18860720 0.72 ALDH1A1 (0.44) PLK1NUDT1ALDH1A1HPGDPDE4D
SCHEMBL21689951 0.72 ALDH1A1 (0.51) PLK1ALDH1A1HPGDPOLBPDE3B
SCHEMBL4396043 0.72 ACHE (0.48) ALDH1A1HPGD
SCHEMBL9370908 0.71 ALDH1A1 (0.54) PLK1ALDH1A1HPGDPOLBPDE3B
SCHEMBL6392944 0.71 PLK1 (0.60) PLK1ALDH1A1HPGDPDE4D
SCHEMBL6270454 0.71 FAAH (0.59) ALDH1A1HPGDHSD17B10LMNA
SCHEMBL19880900 0.71 KDM4E (0.39) PLK1ALDH1A1HPGDPDE4DHPGDS
Hydrochloric Acid SCHEMBL27655722 0.70 PLK1 (0.58) PLK1ALDH1A1HPGDPDE4D

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed