SCHEMBL8905957

SCHEMBL8905957

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
PTGS2 P35354 7/20 0.51
PTGS1 P23219 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
APP P05067 1/20 0.50
FBP1 P09467 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CYP19A1 P11511 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP14 P50281 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP1A2 P05177 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
SCHEMBL8905953 1.00 MAPT (0.53) MAPTPTGS2PTGS1NPC1RAB9A
SCHEMBL3038695 0.88 MAPT (0.57) MAPTPTGS2PTGS1NPC1RAB9A
SCHEMBL3038698 0.88 MAPT (0.57) MAPTPTGS2PTGS1NPC1RAB9A
SCHEMBL9847298 0.86 MAPT (0.58) MAPTPTGS2PTGS1NPC1RAB9A
SCHEMBL8904328 0.84 PTGS2 (0.54) MAPTPTGS2PTGS1NPC1RAB9A
SCHEMBL8904325 0.84 PTGS2 (0.54) MAPTPTGS2PTGS1NPC1RAB9A
SCHEMBL9847342 0.83 MAPT (0.68) MAPTPTGS2PTGS1NPC1RAB9A
SCHEMBL531105 0.82 MAPT (0.66) MAPTPTGS2PTGS1NPC1RAB9A
SCHEMBL16141098 0.82 MAPT (0.66) MAPTPTGS2PTGS1NPC1RAB9A
SCHEMBL531104 0.82 MAPT (0.66) MAPTPTGS2PTGS1NPC1RAB9A

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
US-5598005-A Non-destructive method for determining the extent of cure of a polymerizing material and the solidification of a thermoplastic polymer based on wavelength shift of fluroescence THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE COMMERCE (US) 1997-01-28 US disclosed