SCHEMBL6528880

SCHEMBL6528880

CC(O)n1cnc2nc(N)[nH]c(=O)c21.Cn1cnc2nc(N)[nH]c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
GDA Q9Y2T3 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
PMP22 Q01453 1/20 0.38
HPRT1 P00492 2/20 0.36
PNP P00491 2/20 0.36
EIF4E P06730 1/20 0.36
AKR1B1 P15121 4/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 1/20 0.35
ADORA2A P29274 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL4058210 0.93 HSD17B10 (0.45) HSD17B10HPRT1PNPAKR1B1KDM4E
SCHEMBL25547 0.87 GDA (0.49) HSD17B10GDACYP3A4MAPK1PMP22
Phosphoric Acid SCHEMBL28768404 0.83 EIF4E (0.46) GDACYP3A4MAPK1PMP22HPRT1
Phosphoric Acid SCHEMBL20856962 0.82 EIF4E (0.46) GDACYP3A4MAPK1PMP22HPRT1
SCHEMBL19413462 0.82 ADORA2A (0.49) HSD17B10HPRT1PNPAKR1B1KDM4E
SCHEMBL4057372 0.79 PNP (0.41) HSD17B10PNPAKR1B1KDM4EMEN1
SCHEMBL48266 0.78 AKR1B1 (0.44) HSD17B10PNPAKR1B1KDM4EMEN1
Pyridine SCHEMBL28098163 0.78 GDA (0.41) HSD17B10GDACYP3A4MAPK1PMP22
SCHEMBL19461404 0.78 PNP (0.47) HSD17B10PNPKDM4EMEN1ALDH1A1
SCHEMBL23365318 0.77 ADORA2A (0.43) HSD17B10GDACYP3A4MAPK1PMP22

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-20050130142-A1 Method for the production of nucleic acids consisting of stochastically combined parts of source nucleic acids DIREVO BIOTECH AG (DE) 2005-06-16 US claimed