SCHEMBL5553003

SCHEMBL5553003

O=C(NCCCCCCNC(=O)ON1CCN(C(c2ccccc2)c2ccccc2)CC1)NCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FES P07332 1/20 0.58
RET P07949 1/20 0.58
MARK3 P27448 1/20 0.58
TYK2 P29597 1/20 0.58
FLT4 P35916 1/20 0.58
SYK P43405 1/20 0.58
CLK2 P49760 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
LMNA P02545 3/20 0.49
NAMPT P43490 6/20 0.47
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 4/20 0.45
CYP3A4 P08684 1/20 0.45
SLC1A2 P43004 1/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5557339 0.86 FES (0.61) FESRETMARK3TYK2FLT4
SCHEMBL5557494 0.77 FES (0.76) FESRETMARK3TYK2FLT4
SCHEMBL18317996 0.76 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL1514550 0.76 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317166 0.76 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317214 0.76 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317601 0.76 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317546 0.76 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317211 0.76 FLT4 (1.00) FESRETMARK3TYK2FLT4
SCHEMBL18317181 0.76 FLT4 (1.00) FESRETMARK3TYK2FLT4

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-1154998-B1 INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY ASTELLAS DEUTSCHLAND GMBH (DE) 2007-09-26 EP claimed