SCHEMBL22249682

SCHEMBL22249682

O=NCc1cc(B(O)O)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MGLL Q99685 2/20 0.31
TTR P02766 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL3082470 0.79 LPL (0.47) ENPP2CA1CA2LPLLIPG
SCHEMBL1019278 0.77 ENPP2 (0.44) ENPP2CA1CA2MGLLTTR
SCHEMBL29951218 0.77 ENPP2 (0.44) ENPP2CA1CA2MGLLTTR
SCHEMBL17339405 0.76 F11 (0.45) ENPP2CA1CA2MGLLTTR
SCHEMBL18705814 0.73 KDM4E (0.45) ENPP2CA1CA2KDM4ELPL
SCHEMBL5688518 0.71 ENPP2 (0.38) ENPP2CA1CA2LPLLIPG
Hydrochloric Acid SCHEMBL20768995 0.71 KDM4E (0.44) KDM4ELPLLIPG
SCHEMBL16576645 0.71 RIPK1 (0.35) ENPP2CA1CA2MGLLTTR
SCHEMBL128893 0.69 ENPP2 (0.46) ENPP2CA1CA2MGLLTTR
SCHEMBL16576662 0.69 LPL (0.34) ENPP2CA1CA2MGLLLPL

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-2020150307-A1 PHOSPHONATE CONJUGATES AND USES THEREOF THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-07-23 WO disclosed