SCHEMBL13729249

SCHEMBL13729249

COc1ccccc1Cc1nc(O)c(O)c(O)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
IDO1 P14902 3/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CALM1 P0DP23 1/20 0.42
LTA4H P09960 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL31037845 0.84 HTR6 (0.46) HTR6ADORA3ADORA2AADORA1L3MBTL1
SCHEMBL13727184 0.81 HTR6 (0.43) HTR6ADORA3ADORA2AADORA1L3MBTL1
SCHEMBL13727904 0.80 HTR6 (0.43) HTR6ADORA3ADORA2AADORA1L3MBTL1
SCHEMBL13729826 0.77 HTR6 (0.47) HTR6ALDH1A1TAAR1LTA4HAR
SCHEMBL11782288 0.76 BRS3 (0.47) ALDH1A1LMNAKDM4E
SCHEMBL3296809 0.75 IDO1 (0.61) L3MBTL1ALDH1A1IDO1TAAR1LMNA
SCHEMBL31037839 0.75 DHPS (0.43) HTR6L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL16900008 0.75 TSHR (0.47) HTR6L3MBTL1ALDH1A1IDO1TAAR1
SCHEMBL20212358 0.74 HTR6 (0.51) HTR6ALDH1A1IDO1TAAR1LMNA
SCHEMBL31037840 0.74 DHPS (0.48) HTR6L3MBTL1ALDH1A1MAPK1KDM4E

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