SCHEMBL29953773

SCHEMBL29953773

OB(O)c1ccc2c(O)ccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.43
PLG P00747 1/20 0.39
F12 P00748 1/20 0.39
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TLR8 Q9NR97 3/20 0.36
TTR P02766 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NR4A2 P43354 1/20 0.33
SOS2 Q07890 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL29951934 0.85 ENPP2 (0.43) ENPP2PLGF12F11KLKB1
SCHEMBL19957245 0.80 TTR (0.46) ENPP2PLGF12F11KLKB1
SCHEMBL29958114 0.76 KDM4E (0.42) NR4A2GAAMAPT
SCHEMBL29509132 0.76 TLR8 (0.54) ENPP2TLR8NR4A2SOS2GAA
SCHEMBL28164080 0.76 TLR8 (0.54) ENPP2TLR8NR4A2SOS2GAA
SCHEMBL29952242 0.74 ENPP2 (0.55) ENPP2TTRCA1CA2MAPT
SCHEMBL856485 0.74 ENPP2 (0.55) ENPP2TTRCA1CA2MAPT
SCHEMBL1490718 0.73 ALK (0.50) PLGTLR8
SCHEMBL8601956 0.73 GAK (0.42) TLR8NR4A2SOS2GAAMAPT
SCHEMBL2658022 0.73 HTR1A (0.54) TLR8

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed