SCHEMBL10052057

SCHEMBL10052057

Cc1nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4ccccc4)c3N)n2)c(N)c1N=Nc1c(C#N)cnn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.48
MAPT P10636 7/20 0.48
RAB9A P51151 6/20 0.48
TDP1 Q9NUW8 6/20 0.48
NPC1 O15118 5/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
MAPK1 P28482 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.43
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
XDH P47989 1/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL1613303 0.92 SMN1; SMN2 (0.41) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL1613519 0.88 SMN1; SMN2 (0.44) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL58810 0.86 XDH (0.41) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL12552924 0.86 MAPT (0.41) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL10052061 0.86 MAPT (0.38) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL12052398 0.86 XDH (0.39) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL10194305 0.86 SMN1; SMN2 (0.42) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL14191656 0.85 GAA (0.38) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL10332024 0.84 RAB9A (0.48) SMN1; SMN2MAPTRAB9ATDP1NPC1
SCHEMBL10194308 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MAPTRAB9ATDP1NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114208-B2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2012-02-14 US disclosed
US-8083341-B2 Thermal ink-jet ink and ink cartridge using the ink CANON KABUSHIKI KAISHA (JP) 2011-12-27 US disclosed
US-20090274839-A1 INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-11-05 US disclosed
US-7566362-B2 Ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-07-28 US disclosed
US-7553358-B2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
US-20090047430-A1 INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-02-19 US disclosed
US-20080274285-A1 INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-11-06 US disclosed
US-20080151028-A1 THERMAL INK-JET INK AND INK CARTRIDGE USING THE INK CANON KABUSHIKI KAISHA (JP) 2008-06-26 US disclosed