SCHEMBL5010665

SCHEMBL5010665

c1ccc(-c2cccc([N]c3cccc4ccccc34)c2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
TNF P01375 1/20 0.41
TDP1 Q9NUW8 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ALOX15 P16050 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
CCR2 P41597 1/20 0.41
ENPP1 P22413 2/20 0.39

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
SCHEMBL5010144 0.87 SIGMAR1 (0.51) SIGMAR1TNFTDP1ALDH1A1HPGD
SCHEMBL5012498 0.87 CASP3 (0.41) SIGMAR1TNFTDP1ALDH1A1HPGD
SCHEMBL6542074 0.85 ESR1 (0.41) SIGMAR1TNFALDH1A1HPGDHSD17B10
SCHEMBL5008914 0.83 CASP3 (0.42) SIGMAR1TNFTDP1ALDH1A1HPGD
SCHEMBL49212 0.79 ALDH1A1 (0.58) SIGMAR1TDP1ALDH1A1HPGDHSD17B10
SCHEMBL6542117 0.78 CASP3 (0.46) SIGMAR1ALDH1A1HPGDHSD17B10ENPP1
SCHEMBL6541567 0.78 HPRT1 (0.47) SIGMAR1TNFTDP1ALDH1A1HPGD
SCHEMBL399398 0.76 MAPT (0.47) TNFTDP1ALDH1A1HPGDHSD17B10
SCHEMBL29399206 0.72 TNF (0.61) TNFTDP1ALDH1A1HPGDHSD17B10
SCHEMBL27988223 0.72 TNF (0.61) TNFTDP1ALDH1A1HPGDHSD17B10

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
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
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