SCHEMBL7861858

SCHEMBL7861858

Nc1cc(N)cc(CN2C(=O)C=C(c3ccccc3)C2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 2/20 0.59
ALDH1A1 P00352 7/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CCR6 P51684 2/20 0.41
HPGD P15428 2/20 0.41
ALOX12 P18054 2/20 0.41
CACNA1B Q00975 2/20 0.41
APBA1 Q02410 2/20 0.41
MGLL Q99685 2/20 0.41
FAAH O00519 1/20 0.41
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL28976692 0.87 RGS4 (0.65) RGS4ALDH1A1GAAMAPTNPSR1
SCHEMBL9171007 0.84 RGS4 (0.79) RGS4ALDH1A1GAAMAPTNPSR1
SCHEMBL7858712 0.79 RGS4 (0.49) RGS4ALDH1A1GAAMAPTNPSR1
SCHEMBL28170451 0.79 RGS4 (0.67) RGS4ALDH1A1GAAMAPTNPSR1
SCHEMBL7851892 0.78 RGS4 (0.54) RGS4ALDH1A1GAAMAPTNPSR1
SCHEMBL28976672 0.78 RGS4 (0.65) RGS4ALDH1A1GAAMAPTNPSR1
SCHEMBL27595467 0.76 RGS4 (0.54) RGS4ALDH1A1GAAMAPTNPSR1
SCHEMBL6878003 0.76 RGS4 (0.57) RGS4ALDH1A1GAAMAPTNPSR1
SCHEMBL13517162 0.75 RGS4 (1.00) RGS4ALDH1A1GAAMAPTNPSR1
SCHEMBL28976684 0.74 RGS4 (0.60) RGS4ALDH1A1GAAMAPTNPSR1

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
US-6238752-B1 MODIFIED DIAMINE CHISSO CORPORATION (JP) 2001-05-29 US disclosed
EP-1020442-A1 NOVEL DIAMINO COMPOUNDS, POLYAMIC ACID, POLYIMIDE, LIQUID-CRYSTAL ALIGNMENT FILM MADE FROM FILM OF THE POLYIMIDE, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE ALIGNMENT FILM Chisso Corporation (JP) 2000-07-19 EP disclosed