SCHEMBL4711476

SCHEMBL4711476

CNC(=O)c1c(C)ncc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HPGDS O60760 2/20 0.40
LMNA P02545 1/20 0.38
NUDT1 P36639 1/20 0.37
PLK1 P53350 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL27772795 0.83 POLB (0.39) HPGDPOLBSMN1; SMN2KDM4EKMT2A
SCHEMBL27729808 0.80 POLB (0.39) POLBKDM4EKMT2AHSD17B10MAPT
SCHEMBL28269734 0.77 HPGD (0.42) ALDH1A1HPGDHPGDSLMNANUDT1
SCHEMBL18860720 0.77 ALDH1A1 (0.44) ALDH1A1HPGDHPGDSLMNANUDT1
SCHEMBL4781208 0.75 PLK1 (0.41) ALDH1A1HPGDSLMNAPLK1POLB
SCHEMBL27592899 0.70 ACHE (0.41) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL365712 0.70 PLK1 (0.45) ALDH1A1HPGDHPGDSLMNANUDT1
SCHEMBL9688407 0.69 ACHE (0.39) ALDH1A1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL13687250 0.69 BAZ2B (0.37) ALDH1A1HPGDPLK1SMN1; SMN2KDM4E
SCHEMBL20869079 0.69 PDE3B (0.44) ALDH1A1HPGDHPGDSNUDT1PLK1

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-1909788-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2008-04-16 EP disclosed
WO-2007016525-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2007-02-08 WO disclosed