SCHEMBL16404346

SCHEMBL16404346

COc1ccc(Nc2nc(CCc3nc(Nc4ccc(CO)cc4)c4ccccc4n3)nc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.59
ABCG2 Q9UNQ0 4/20 0.58
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
ATM Q13315 1/20 0.56
TP53 P04637 1/20 0.55
PTGS2 P35354 1/20 0.55
ABCC1 P33527 2/20 0.54
HTR2A P28223 1/20 0.53
SLC2A1 P11166 1/20 0.53
MERTK Q12866 3/20 0.53
KDM1A O60341 2/20 0.52
POLB P06746 1/20 0.52
RAD52 P43351 1/20 0.52
GFER P55789 1/20 0.52
HTT P42858 2/20 0.52
ABCB1 P08183 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL16404496 0.92 NPY5R (0.69) NPY5RABCG2KMT2AMEN1ATM
SCHEMBL16404310 0.86 NPY5R (0.73) NPY5RABCG2KMT2AMEN1ATM
SCHEMBL16404355 0.85 ABCG2 (0.78) NPY5RABCG2KMT2AMEN1ATM
SCHEMBL16404339 0.84 ABCG2 (0.72) NPY5RABCG2KMT2AMEN1ATM
SCHEMBL16404348 0.82 PDE5A (0.56) NPY5RABCG2KMT2AMEN1ATM
SCHEMBL16404331 0.82 MEN1 (0.65) NPY5RABCG2KMT2AMEN1ATM
SCHEMBL16404332 0.80 ABCG2 (0.69) ABCG2KMT2AMEN1ATMTP53
SCHEMBL8891485 0.79 MERTK (0.73) NPY5RABCG2KMT2AMEN1ATM
Hydrochloric Acid SCHEMBL8900133 0.78 MERTK (0.72) NPY5RABCG2KMT2AMEN1ATM
SCHEMBL3119160 0.77 APP (0.70) TP53SLC2A1POLBRAD52ALDH1A1

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