SCHEMBL13770596

SCHEMBL13770596

C=Cc1ccc(N(c2cccc(C)c2)c2ccc(-c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc3C)c(C)c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 2/20 0.33
CSF1R P07333 2/20 0.33
ACHE P22303 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL12954835 0.88 TP53 (0.39) TP53TDP1EGFRCSF1RACHE
SCHEMBL12018951 0.86 TP53 (0.37) TP53TDP1EGFRCSF1R
SCHEMBL12938559 0.86 ACHE (0.42) TDP1EGFRCSF1RACHESIGMAR1
SCHEMBL30451157 0.86 ACHE (0.42) TDP1EGFRCSF1RACHESIGMAR1
SCHEMBL11331009 0.86 ACHE (0.42) TDP1EGFRCSF1RACHESIGMAR1
SCHEMBL766096 0.84 TP53 (0.38) TP53TDP1EGFRCSF1RACHE
SCHEMBL8354975 0.82 S100B (0.31) TP53TDP1
SCHEMBL13049550 0.81 ALDH1A1 (0.39) TP53TDP1EGFRCSF1RACHE
SCHEMBL11335607 0.81 ACHE (0.38) TP53TDP1EGFRCSF1RACHE
SCHEMBL1702731 0.81 ALDH1A1 (0.39) TP53TDP1EGFRCSF1RACHE

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-2009092671-A2 ORGANIC LIGHT EMITTING SYSTEMS BASF SE (DE) 2009-07-30 WO disclosed