SCHEMBL7812433

SCHEMBL7812433

COc1ccc2c(c1[N+](=O)[O-])C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.43
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
BLM P54132 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL896997 0.88 ALK (0.53) ALK
SCHEMBL7809417 0.86 ALK (0.41) ALK
SCHEMBL896895 0.85 ALK (0.62) ALK
SCHEMBL1755908 0.83 ALK (0.50) ALKMAPTALDH1A1
SCHEMBL7809425 0.76 ALK (0.59) ALK
SCHEMBL7811873 0.75 ALK (0.72) ALK
SCHEMBL7810970 0.74 ALK (0.55) ALK
SCHEMBL1755809 0.74 ALK (0.54) ALK
SCHEMBL7811871 0.74 ALK (0.57) ALK
SCHEMBL1755955 0.72 ALK (0.52) ALK

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
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed