SCHEMBL5493737

SCHEMBL5493737

Nc1ccccc1-c1cccc(N)c1-c1ccccc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
PTPRC P08575 1/20 0.58
ADORA2A P29274 3/20 0.52
HSD17B10 Q99714 3/20 0.50
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
CSNK1G1 Q9HCP0 2/20 0.46
FGR P09769 1/20 0.46
PIM1 P11309 1/20 0.46
MAOA P21397 1/20 0.46
DYRK1A Q13627 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
CYP3A4 P08684 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
PABPC1 P11940 2/20 0.44
HSPA1A P0DMV8 1/20 0.44

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
SCHEMBL3714036 0.92 ALDH1A1 (0.72) ALDH1A1L3MBTL1PTPRCADORA2AHSD17B10
SCHEMBL7389021 0.89 ALDH1A1 (0.67) ALDH1A1L3MBTL1PTPRCADORA2AHSD17B10
SCHEMBL1578324 0.86 PTPRC (0.67) ALDH1A1L3MBTL1PTPRCADORA2AHSD17B10
SCHEMBL28547340 0.86 PTPRC (0.67) ALDH1A1L3MBTL1PTPRCADORA2AHSD17B10
SCHEMBL1101259 0.84 ALDH1A1 (0.64) ALDH1A1L3MBTL1PTPRCADORA2AHSD17B10
SCHEMBL9324952 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1PTPRCADORA2AHSD17B10
SCHEMBL31607672 0.83 ALDH1A1 (1.00) ALDH1A1L3MBTL1PTPRCADORA2AHSD17B10
SCHEMBL169281 0.83 ALDH1A1 (1.00) ALDH1A1L3MBTL1PTPRCADORA2AHSD17B10
SCHEMBL2490795 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1PTPRCADORA2AHSD17B10
SCHEMBL3794845 0.80 ALDH1A1 (0.55) ALDH1A1L3MBTL1PTPRCADORA2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1172466-B1 PROCESS FOR PRODUCING A META-TYPE WHOLLY AROMATIC POLYAMIDE FIBER TEIJIN LTD (JP) 2007-01-10 EP disclosed
US-6569366-B1 Wet spinning, drawing, heat treatment; poly-meta-phenylenediamine isophthalamide TEIJIN LIMITED (JP) 2003-05-27 US disclosed
EP-1172466-A1 META-FORM WHOLLY AROMATIC POLYAMIDE FIBER AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2002-01-16 EP disclosed
US-4389521-A AROMATIC POLYAMIDE TEIJIN LIMITED (JP) 1983-06-21 US disclosed
EP-0008126-B1 AROMATIC POLYAMIDE COMPOSITION TEIJIN LIMITED (JP) 1982-12-29 EP disclosed
US-4250073-A HIGH CONCENTRATION OF POLYMER POSSIBLE; FILAMENTS AND FIBERS; GROUP 1A OR 2A METAL OR AMMONIUM HALIDE AS A SOLUBILITY-ENHANCING AGENT TEIJIN LIMITED (JP) 1981-02-10 US disclosed
EP-0008126-A1 Aromatic polyamide composition TEIJIN LIMITED (JP) 1980-02-20 EP disclosed