SCHEMBL16404337

SCHEMBL16404337

COc1ccc(Nc2nc(Nc3ccc(-c4ccc(Nc5nc(Nc6ccc(CO)cc6)c6ccccc6n5)c(OC)c4)cc3CO)nc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.56
SLC2A1 P11166 1/20 0.51
RAD52 P43351 5/20 0.51
MERTK Q12866 5/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
ABCG2 Q9UNQ0 3/20 0.49
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL16404475 0.89 NPY5R (0.70) NPY5RSLC2A1MERTKKMT2AABCG2
SCHEMBL16404310 0.83 NPY5R (0.73) NPY5RSLC2A1MERTKKMT2AABCG2
SCHEMBL16404355 0.78 ABCG2 (0.78) NPY5RKMT2AABCG2ABCB1ABCC1
SCHEMBL16404339 0.77 ABCG2 (0.72) NPY5RKMT2AABCG2ABCB1ABCC1
SCHEMBL16404348 0.75 PDE5A (0.56) NPY5RSLC2A1MERTKKMT2AABCG2
SCHEMBL2590796 0.75 NPY5R (0.97) NPY5RSLC2A1RAD52MERTKKMT2A
SCHEMBL16404346 0.75 NPY5R (0.59) NPY5RSLC2A1RAD52MERTKKMT2A
SCHEMBL8891485 0.74 MERTK (0.73) NPY5RSLC2A1RAD52MERTKKMT2A
SCHEMBL16404473 0.74 NPY5R (0.89) NPY5RSLC2A1RAD52MERTKKMT2A
SCHEMBL8909187 0.74 NPY5R (1.00) NPY5RSLC2A1RAD52MERTKKMT2A

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-8936840-B2 Retardation film, polarizing plate, liquid crystal display device, and compound Konica Minolta, Inc. (JP) 2015-01-20 US disclosed