SCHEMBL13729596

SCHEMBL13729596

O=C(NCC1CCCO1)c1ccncn1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
MAPT P10636 1/20 0.71
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
HTT P42858 1/20 0.57
HPGD P15428 11/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
NAMPT P43490 2/20 0.51
ROCK2 O75116 1/20 0.50

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
SCHEMBL3675630 0.83 POLB (1.00) POLBMAPTKMT2AMEN1HTT
SCHEMBL30880779 0.81 POLB (0.69) POLBMAPTKMT2AMEN1HTT
SCHEMBL13210604 0.80 KMT2A (0.72) POLBMAPTKMT2AMEN1HTT
SCHEMBL23553433 0.80 POLB (0.67) POLBMAPTKMT2AMEN1HTT
SCHEMBL30880768 0.77 POLB (0.64) POLBMAPTKMT2AMEN1HTT
SCHEMBL19372277 0.76 KMT2A (0.59) POLBMAPTKMT2AMEN1HTT
SCHEMBL13162046 0.76 KMT2A (0.59) POLBMAPTKMT2AMEN1HPGD
SCHEMBL13162030 0.76 KMT2A (0.59) POLBMAPTKMT2AMEN1HPGD
SCHEMBL3668332 0.76 POLB (0.87) POLBMAPTKMT2AMEN1HTT
SCHEMBL7456339 0.75 MEN1 (0.58) POLBMAPTKMT2AMEN1HPGD

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-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed