SCHEMBL3911696

SCHEMBL3911696

N#Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1C#N.O=C1OC(=O)c2cc(Oc3ccc(-c4ccccc4)cc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 1/20 0.47
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
CYP19A1 P11511 1/20 0.43
GSTP1 P09211 1/20 0.41
AR P10275 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCL1 Q07820 2/20 0.39
SCN9A Q15858 2/20 0.39
PDE4B Q07343 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
BCL2 P10415 1/20 0.38

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
SCHEMBL1655544 0.86 MAOA (0.56) NPSR1MAOBMAOAGSTP1MEN1
SCHEMBL1655480 0.85 ALDH1A1 (0.73) ALDH1A1HPGDNPSR1MAOBMAOA
SCHEMBL3625447 0.82 MAOA (0.51) ALDH1A1MAOBMAOAGSTP1MAPT
SCHEMBL10414698 0.79 MAOA (0.66) MAOBMAOAGSTP1MAPTTDP1
SCHEMBL2828515 0.79 MAOA (0.66) MAOBMAOAGSTP1MAPTTDP1
SCHEMBL31634592 0.79 MAOA (0.66) MAOBMAOAGSTP1MAPTTDP1
SCHEMBL29688449 0.78 ALDH1A1 (0.62) ALDH1A1HPGDNPSR1MAOBMAOA
SCHEMBL1377135 0.78 ALDH1A1 (0.62) ALDH1A1HPGDNPSR1MAOBMAOA
SCHEMBL10590613 0.77 POLB (0.53) ALDH1A1MAOBMAOACYP19A1AR
SCHEMBL9745473 0.77 ALDH1A1 (0.65) ALDH1A1HPGDNPSR1MAOBMAOA

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-2032610-A2 METHODS OF PREPARING POLYMER-ORGANOCLAY COMPOSITES AND ARTICLES DERIVED THEREFROM GENERAL ELECTRIC COMPANY (US) 2009-03-11 EP disclosed
WO-2008002870-A2 METHODS OF PREPARING POLYMER-ORGANOCLAY COMPOSITES AND ARTICLES DERIVED THEREFROM SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-01-03 WO disclosed