SCHEMBL30786605

SCHEMBL30786605

Nc1ccc(-c2cccc(B(O)O)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.70
ENPP2 Q13822 6/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TAAR1 Q96RJ0 2/20 0.57
PLG P00747 1/20 0.55
F12 P00748 1/20 0.55
F11 P03951 1/20 0.55
KLKB1 P03952 1/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.44
MAOA P21397 1/20 0.43
CYP2C9 P11712 1/20 0.40

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
SCHEMBL14653454 0.85 MGLL (0.95) MGLLENPP2ALDH1A1KDM4EPLG
SCHEMBL2846622 0.85 MGLL (0.79) MGLLENPP2ALDH1A1KDM4EPLG
SCHEMBL12619984 0.85 MGLL (0.86) MGLLENPP2ALDH1A1KDM4EPLG
SCHEMBL30712840 0.85 MGLL (0.86) MGLLENPP2ALDH1A1KDM4EPLG
SCHEMBL31139484 0.85 MGLL (0.86) MGLLENPP2ALDH1A1KDM4EPLG
SCHEMBL20840712 0.83 MGLL (0.76) MGLLENPP2ALDH1A1KDM4EPLG
SCHEMBL66838 0.83 MGLL (1.00) MGLLENPP2ALDH1A1KDM4EPLG
SCHEMBL29992604 0.83 MGLL (1.00) MGLLENPP2ALDH1A1KDM4EPLG
SCHEMBL31416550 0.82 MGLL (0.73) MGLLENPP2ALDH1A1KDM4EPLG
SCHEMBL1542869 0.81 MGLL (0.95) MGLLENPP2ALDH1A1KDM4EPLG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659068-A Double-hole covalent organic framework material based on double connection bond constructed by trifunctional monomer and preparation method thereof 电子科技大学长三角研究院(湖州) 2024-03-08 CN claimed
CN-117659068-A Double-hole covalent organic framework material based on double connection bond constructed by trifunctional monomer and preparation method thereof 电子科技大学长三角研究院(湖州) 2024-03-08 CN disclosed