SCHEMBL29951934

SCHEMBL29951934

OB(O)c1ccc2nccc(O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.43
EGFR P00533 2/20 0.40
TTR P02766 2/20 0.39
NR4A2 P43354 1/20 0.37
PLG P00747 1/20 0.36
F12 P00748 1/20 0.36
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ERN1 O75460 1/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL29953773 0.85 ENPP2 (0.43) ENPP2TTRNR4A2PLGF12
SCHEMBL25338825 0.80 NR4A2 (0.61) ENPP2EGFRTTRNR4A2PLG
SCHEMBL20600556 0.80 SMN1; SMN2 (0.47) ENPP2EGFRTTRNR4A2PLG
SCHEMBL20292848 0.80 TTR (0.50) ENPP2EGFRTTRNR4A2PLG
SCHEMBL29945144 0.77 NR4A2 (0.61) NR4A2MAPTMEN1ALDH1A1KMT2A
SCHEMBL3268768 0.77 NR4A2 (0.61) NR4A2MAPTMEN1ALDH1A1KMT2A
SCHEMBL30819181 0.76 PARP1 (0.47) ENPP2NR4A2MAPTKDM4EERN1
SCHEMBL1332713 0.76 PARP1 (0.47) ENPP2NR4A2MAPTKDM4EERN1
SCHEMBL22125565 0.76 ENPP2 (0.42) ENPP2EGFRTTRNR4A2KDM4E
SCHEMBL30379753 0.76 HTR1A (0.43) ENPP2EGFR

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