SCHEMBL16404348

SCHEMBL16404348

COc1ccc(Nc2nc(C3CCC(c4nc(Nc5ccc(CO)cc5)c5ccccc5n4)CC3)nc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.56
NPY5R Q15761 1/20 0.55
ABCG2 Q9UNQ0 3/20 0.54
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
HTR2A P28223 1/20 0.52
MERTK Q12866 4/20 0.52
TP53 P04637 2/20 0.52
ATM Q13315 1/20 0.52
PTGS2 P35354 1/20 0.51
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
ABCC1 P33527 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA1 P30542 1/20 0.49
SLC2A1 P11166 1/20 0.49

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
SCHEMBL16404477 0.91 PDE5A (0.66) PDE5ANPY5RABCG2MEN1KMT2A
SCHEMBL16404310 0.82 NPY5R (0.73) NPY5RABCG2MEN1KMT2AHTR2A
SCHEMBL16404346 0.82 NPY5R (0.59) NPY5RABCG2MEN1KMT2AHTR2A
SCHEMBL16404355 0.81 ABCG2 (0.78) PDE5ANPY5RABCG2MEN1KMT2A
SCHEMBL4868370 0.81 PDE5A (0.68) PDE5ATP53ALDH1A1MAPK1SMN1; SMN2
SCHEMBL16404339 0.81 ABCG2 (0.72) PDE5ANPY5RABCG2MEN1KMT2A
SCHEMBL16404331 0.79 MEN1 (0.65) NPY5RABCG2MEN1KMT2AHTR2A
SCHEMBL16404332 0.76 ABCG2 (0.69) PDE5AABCG2MEN1KMT2ATP53
SCHEMBL4867367 0.76 PDE5A (0.78) PDE5ATP53ALDH1A1MAPK1SLC2A1
SCHEMBL16404337 0.75 NPY5R (0.56) NPY5RABCG2MEN1KMT2AMERTK

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