SCHEMBL9847310

SCHEMBL9847310

CCCCCCC(CCCC)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
APP P05067 1/20 0.41
PTGS1 P23219 2/20 0.40
FBP1 P09467 1/20 0.40
MGLL Q99685 1/20 0.40
PDF Q9HBH1 1/20 0.40
CYP19A1 P11511 2/20 0.40
APEX1 P27695 1/20 0.39

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
SCHEMBL9847255 0.96 PTGS2 (0.49) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL9847264 0.91 PTGS2 (0.47) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL21941003 0.91 MAPT (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9847271 0.85 PTGS2 (0.48) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL590835 0.79 MAPT (0.54) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL9839382 0.79 MAPT (0.54) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL590836 0.79 MAPT (0.54) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL8748693 0.77 MAPT (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9847340 0.76 ALDH1A1 (0.53) PTGS2MAPTMEN1KMT2AALDH1A1
SCHEMBL9103082 0.76 MMP13 (0.41) MEN1KMT2AGAALMNAHTT

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