SCHEMBL6540913

SCHEMBL6540913

c1ccc(-c2ccccc2[N]c2cccc3cc4ccccc4cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MPI P34949 1/20 0.40
TSHR P16473 3/20 0.38
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 2/20 0.38
HIF1A Q16665 2/20 0.38
TP53 P04637 1/20 0.38
CASP7 P55210 1/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
TNF P01375 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL6542074 0.89 ESR1 (0.41) SIGMAR1ALDH1A1HPGDKDM4EMEN1
SCHEMBL2256805 0.85 SIGMAR1 (0.45) SIGMAR1ALDH1A1HPGDKDM4EMEN1
SCHEMBL5010144 0.84 SIGMAR1 (0.51) SIGMAR1ALDH1A1HPGDKDM4EMEN1
SCHEMBL6541314 0.83 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDKDM4EMEN1
SCHEMBL6542100 0.83 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDKDM4EMEN1
SCHEMBL6542069 0.83 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDKDM4EMEN1
SCHEMBL6542058 0.83 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDKDM4EMEN1
SCHEMBL2254008 0.80 SIGMAR1 (0.49) SIGMAR1ALDH1A1HPGDKDM4EMEN1
SCHEMBL6540930 0.80 ALDH1A1 (0.48) SIGMAR1ALDH1A1HPGDKDM4EMEN1
SCHEMBL6541795 0.80 ALDH1A1 (0.48) SIGMAR1ALDH1A1HPGDKDM4EMEN1

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-1452574-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME TOYO INK MFG. CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed