SCHEMBL9358348

SCHEMBL9358348

CCCCCCOc1ccc(N=Cc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KDM4E B2RXH2 1/20 0.59
THRB P10828 1/20 0.59
PTBP1 P26599 1/20 0.59
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CA12 O43570 1/20 0.49
GAA P10253 2/20 0.47
PLA2G4B P0C869 1/20 0.46
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAF1 P04049 1/20 0.44
MAOB P27338 1/20 0.43
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
SCHEMBL9358342 1.00 MAPT (0.59) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9354175 0.96 KMT2A (0.62) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9354176 0.96 KMT2A (0.62) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9353971 0.87 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9353965 0.87 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9354000 0.80 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3928399 0.80 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9354592 0.80 PTGS2 (0.55) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9354586 0.80 PTGS2 (0.55) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9357939 0.79 PTGS2 (0.51) MAPTKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357783-B1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES (JP) 1994-10-26 EP disclosed
EP-0357783-A1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1990-03-14 EP disclosed