SCHEMBL9847342

SCHEMBL9847342

CCCN(C)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
PTGS2 P35354 7/20 0.54
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
APP P05067 1/20 0.49
FBP1 P09467 1/20 0.47
MMP14 P50281 1/20 0.47
PTGS1 P23219 2/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
TLR9 Q9NR96 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL16706324 0.91 MAPT (0.81) MAPTMMP14CRHBPCRHR2ALDH1A1
SCHEMBL13226534 0.89 MAPT (0.74) MAPTPTGS2NPC1RAB9AAPP
SCHEMBL9097274 0.89 MAPT (0.74) MAPTPTGS2NPC1RAB9AAPP
SCHEMBL9097270 0.89 MAPT (0.74) MAPTPTGS2NPC1RAB9AAPP
SCHEMBL9847298 0.88 MAPT (0.58) MAPTPTGS2NPC1RAB9AAPP
SCHEMBL3038695 0.87 MAPT (0.57) MAPTPTGS2NPC1RAB9AAPP
SCHEMBL3038698 0.87 MAPT (0.57) MAPTPTGS2NPC1RAB9AAPP
SCHEMBL9362626 0.86 PTGS2 (0.55) MAPTPTGS2NPC1RAB9AAPP
SCHEMBL9362623 0.86 PTGS2 (0.55) MAPTPTGS2NPC1RAB9AAPP
SCHEMBL8905957 0.83 MAPT (0.53) MAPTPTGS2NPC1RAB9AAPP

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-0406888-A2 Nonlinear optical polymer composition and method for producing the same SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed