SCHEMBL9847265

SCHEMBL9847265

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
PTGS2 P35354 5/20 0.50
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
APP P05067 1/20 0.45
FBP1 P09467 1/20 0.44
PTGS1 P23219 2/20 0.43
CYP19A1 P11511 2/20 0.43
ALDH3A1 P30838 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL9358403 0.97 MAPT (0.61) MAPTPTGS2ALDH1A1MEN1KMT2A
SCHEMBL6474787 0.97 MAPT (0.61) MAPTPTGS2ALDH1A1MEN1KMT2A
SCHEMBL9847350 0.96 MAPT (0.54) MAPTPTGS2ALDH1A1MEN1KMT2A
SCHEMBL9847215 0.95 MAPT (0.52) MAPTPTGS2ALDH1A1MEN1KMT2A
SCHEMBL9362626 0.94 PTGS2 (0.55) MAPTPTGS2ALDH1A1MEN1KMT2A
SCHEMBL9362623 0.94 PTGS2 (0.55) MAPTPTGS2ALDH1A1MEN1KMT2A
SCHEMBL9362320 0.93 MAPT (0.56) MAPTPTGS2ALDH1A1MEN1KMT2A
SCHEMBL9362316 0.93 MAPT (0.56) MAPTPTGS2ALDH1A1MEN1KMT2A
SCHEMBL9847275 0.92 MAPT (0.58) MAPTPTGS2ALDH1A1MEN1KMT2A
SCHEMBL592173 0.92 MAPT (0.55) MAPTPTGS2ALDH1A1MEN1KMT2A

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