SCHEMBL8094736

SCHEMBL8094736

CC(=Nc1ccc(Cl)cc1C(C)C)c1cccc(C(C)=Nc2ccc(Cl)cc2C(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
GFER P55789 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
NPC1 O15118 2/20 0.33
MAPK1 P28482 2/20 0.33
AGTR1 P30556 1/20 0.33
OPRK1 P41145 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL8094733 1.00 MAPT (0.35) MAPTMEN1KMT2AGAARAB9A
SCHEMBL8089710 0.89 MAPT (0.35) MAPTMEN1KMT2AGAARAB9A
SCHEMBL8089708 0.89 MAPT (0.35) MAPTMEN1KMT2AGAARAB9A
SCHEMBL5588276 0.84 TRPA1 (0.38) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5587396 0.83 TRPA1 (0.37) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL14820625 0.82 GABRA1 (0.41) RAB9ASMN1; SMN2GABRA1GABRB1NPC1
SCHEMBL1164472 0.82 MAPT (0.46) MAPTMEN1KMT2AGAARAB9A
SCHEMBL1164471 0.82 MAPT (0.46) MAPTMEN1KMT2AGAARAB9A
SCHEMBL4604842 0.81 MAPT (0.39) MAPTMEN1KMT2AGAARAB9A
SCHEMBL4604843 0.81 MAPT (0.39) MAPTMEN1KMT2AGAARAB9A

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
EP-1059313-A1 Transition metal catalyst component for polymerization, aromatic vinyl compound-olefin copolymer and process for its production by means of the catalyst component DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-12-13 EP disclosed