SCHEMBL4580477

SCHEMBL4580477

c1ccc(C2=C(c3ccccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
TNF P01375 1/20 0.33
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CRHR1 P34998 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4580462 0.99 SIGMAR1 (0.37) SIGMAR1TNFMAPTTDP1L3MBTL1
SCHEMBL17811581 0.87 SIGMAR1 (0.41) SIGMAR1TNFMAPTTDP1L3MBTL1
SCHEMBL17740514 0.87 SIGMAR1 (0.43) SIGMAR1TNFL3MBTL1CA12CA1
SCHEMBL17470350 0.86 SIGMAR1 (0.42) SIGMAR1TNFL3MBTL1CA12CA1
SCHEMBL29453908 0.86 CA12 (0.41) SIGMAR1TNFMAPTTDP1L3MBTL1
SCHEMBL16385671 0.86 CA12 (0.41) SIGMAR1TNFMAPTTDP1L3MBTL1
SCHEMBL19546367 0.83 CA12 (0.42) SIGMAR1TNFMAPTTDP1L3MBTL1
SCHEMBL29776743 0.83 SIGMAR1 (0.40) SIGMAR1TNFMAPTTDP1L3MBTL1
SCHEMBL16385728 0.83 SIGMAR1 (0.40) SIGMAR1TNFMAPTTDP1L3MBTL1
SCHEMBL4581858 0.83 ALDH1A1 (0.39) MAPTTDP1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396599-B2 Binuclear organometallic complexes and organic electroluminescent display device using the same SAMSUNG SDI CO., LTD. (KR) 2008-07-08 US disclosed