SCHEMBL7772808

SCHEMBL7772808

CCOc1ccc(CNCCNCc2ccc(OCC)c(OCC)c2)cc1OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
S1PR2 O95136 1/20 0.56
S1PR1 P21453 1/20 0.56
S1PR3 Q99500 1/20 0.56
LPAR2 Q9HBW0 1/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
F2 P00734 1/20 0.51
F10 P00742 1/20 0.51
PRSS1 P07477 1/20 0.51
F7 P08709 1/20 0.51
MAPT P10636 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL5222221 0.82 KMT2A (0.63) LMNAKMT2AMEN1ATMSMN1; SMN2
SCHEMBL8315122 0.82 ALDH1A1 (0.62) LMNAS1PR2S1PR1S1PR3LPAR2
SCHEMBL6136444 0.82 LMNA (0.54) LMNAS1PR2S1PR1S1PR3LPAR2
SCHEMBL16764806 0.80 KMT2A (0.49) LMNAS1PR2S1PR1S1PR3LPAR2
SCHEMBL2847121 0.79 KMT2A (0.51) LMNAKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL2521728 0.78 CALM1 (0.51) LMNAKMT2AMEN1ATMSMN1; SMN2
SCHEMBL11479099 0.77 HTR1A (0.56) LMNAS1PR2S1PR1S1PR3LPAR2
SCHEMBL9001844 0.77 S1PR2 (0.50) LMNAS1PR2S1PR1S1PR3LPAR2
SCHEMBL5972208 0.77 KDM4E (0.75) KMT2AMEN1ATMSMN1; SMN2GAA
SCHEMBL31606732 0.77 KDM4E (0.75) KMT2AMEN1ATMSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781552-B1 Multidrug resistance inhibitors NISSHIN FLOUR MILLING CO (JP) 2001-07-25 EP disclosed
US-6011069-A N-POLYISOPRENYL-N,N'-DIBENZYLETHYLENEDIAMINES NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-01-04 US disclosed
EP-0781552-A1 Multidrug resistance inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-07-02 EP disclosed