SCHEMBL4193079

SCHEMBL4193079

O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(CCCCO)[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.52
TLR7 Q9NYK1 5/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
PSMD14 O00487 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43

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
SCHEMBL4202515 0.87 PNP (0.53) PNPTLR7MEN1KMT2APOLB
SCHEMBL21389547 0.77 TLR7 (0.51) PNPTLR7MEN1KMT2APOLB
SCHEMBL5641835 0.76 PNP (0.60) PNPTLR7MEN1KMT2APOLB
SCHEMBL4624542 0.76 PNP (0.60) PNPTLR7MEN1KMT2APOLB
SCHEMBL18113975 0.75 PNP (0.56) PNPTLR7MEN1KMT2APOLB
SCHEMBL10958065 0.73 P2RX7 (0.49) PNPMEN1KMT2APOLBADORA3
SCHEMBL22560010 0.73 PNP (0.65) PNPTLR7HPGDALDH1A1ADORA2A
SCHEMBL10826355 0.72 ALDH1A1 (0.48) PNPMEN1KMT2APOLBTSHR
SCHEMBL4622180 0.70 ADORA2A (0.48) ADORA2AADORA2B
SCHEMBL8355232 0.70 ADORA3 (0.65) PNPTLR7MEN1KMT2APOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845993-A4 NOVEL ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2009-03-11 EP disclosed
EP-1845993-A2 NOVEL ADENOSINE A3 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2007-10-24 EP disclosed
WO-2006083916-A2 NOVEL ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2006-08-10 WO disclosed