SCHEMBL13729637

SCHEMBL13729637

Cc1cccc(Cc2nc(O)c(O)c(O)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
LTA4H P09960 1/20 0.41
IDO1 P14902 2/20 0.41
MPO P05164 1/20 0.40
SLC5A2 P31639 1/20 0.40
DAO P14920 2/20 0.40
ACHE P22303 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
FYN P06241 1/20 0.39
NR3C2 P08235 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13824308 0.83 EGLN1 (0.42) HTR6HTR2CHTR2BSLC5A2EGLN1
SCHEMBL13823965 0.81 EGLN1 (0.45) HTR6EGLN1MEN1KMT2A
SCHEMBL13727990 0.80 HTR6 (0.41) HTR6HTR2CHTR2BTAAR1LTA4H
SCHEMBL15592673 0.79 EGLN1 (0.41) HTR6EGLN1MEN1KMT2A
SCHEMBL13728722 0.78 HTR6 (0.44) HTR6HTR2CHTR2BLTA4HIDO1
SCHEMBL13729492 0.77 CALM1 (0.46) HTR6MEN1KMT2A
SCHEMBL31037849 0.76 DHPS (0.49) HTR6ACHEMEN1TP53KMT2A
SCHEMBL17721729 0.76 HTR6 (0.46) HTR6HTR2CHTR2BTAAR1LTA4H
SCHEMBL13731334 0.76 HTR2C (0.47) HTR2CHTR2BTAAR1LTA4HIDO1
SCHEMBL30000562 0.74 TAAR1 (0.60) TAAR1LTA4HIDO1SLC5A2DAO

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