SCHEMBL13233286

SCHEMBL13233286

CCCCOCN(COC)c1nc(N(COCCCC)C(C)=O)nc(N(COCCCC)C(C)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CES2 O00748 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G4B P0C869 2/20 0.30
ATM Q13315 1/20 0.30
RARB P10826 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
SCHEMBL13133051 0.89 MEN1 (0.32) MEN1KMT2ATDP1
SCHEMBL13133039 0.88 MEN1 (0.31) MEN1KMT2ATDP1
SCHEMBL2736010 0.88 ALDH1A1 (0.39) MEN1KMT2ATDP1ALDH1A1RARB
SCHEMBL13133043 0.85 RAB9A (0.33)
SCHEMBL13133053 0.83 RAB9A (0.34)
SCHEMBL2618702 0.82 HTT (0.34) ALDH1A1
SCHEMBL2736017 0.81 MEN1 (0.35) MEN1KMT2ATDP1ALDH1A1ATM
SCHEMBL237936 0.80 TSHR (0.38) MEN1KMT2ATDP1ALDH1A1
SCHEMBL12422415 0.80 CRHR1 (0.32)
SCHEMBL13140691 0.77 MEN1 (0.41) MEN1KMT2ATDP1ALDH1A1

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-20100163812-A1 INK COMPOSITION FOR COLOR FILTER LG CHEM, LTD. (KR) 2010-07-01 US disclosed