SCHEMBL18757147

SCHEMBL18757147

CNC(=O)NCc1cccc(-c2cnc(NCc3cccnc3)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 9/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
EPHX2 P34913 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.49
EPHX1 P07099 1/20 0.48
FES P07332 1/20 0.48
RET P07949 1/20 0.48
MARK3 P27448 1/20 0.48
TYK2 P29597 1/20 0.48
FLT4 P35916 1/20 0.48
SYK P43405 1/20 0.48
CLK2 P49760 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL16785035 0.85 SMN1; SMN2 (0.48) VNN1SMN1; SMN2L3MBTL1HDAC3HDAC1
SCHEMBL18756982 0.83 VNN1 (0.40) VNN1SMN1; SMN2L3MBTL1HDAC3HDAC1
SCHEMBL255574 0.82 FES (0.68) SMN1; SMN2L3MBTL1TSHRFESRET
SCHEMBL18757095 0.80 AOC3 (0.47) EPHX2PRMT6NAMPT
SCHEMBL12523907 0.78 SMN1; SMN2 (0.43) VNN1SMN1; SMN2L3MBTL1HDAC3HDAC1
SCHEMBL18757069 0.77 VNN1 (0.44) VNN1SMN1; SMN2HDAC1NPC1
SCHEMBL18757160 0.77 CARM1 (0.39) PRMT6
SCHEMBL18757037 0.75 MAPK1 (0.39) LMNA
SCHEMBL14365887 0.75 AOC3 (0.63) SMN1; SMN2EPHX2PRMT6LMNA
SCHEMBL17656758 0.74 AOC3 (0.40) VNN1HDAC3HDAC1HDAC2HDAC6

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-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed