SCHEMBL30452858

SCHEMBL30452858

Nc1cnnc2cc(-c3cccc(B(O)O)c3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.52
F12 P00748 1/20 0.52
F11 P03951 1/20 0.52
KLKB1 P03952 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
MGLL Q99685 2/20 0.46
ENPP2 Q13822 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DHFR P00374 3/20 0.38
SRC P12931 1/20 0.37
MAP4K4 O95819 2/20 0.36
LRRK2 Q5S007 3/20 0.35
PDE10A Q9Y233 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TTR P02766 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
SCHEMBL25840713 0.78 PLG (0.37) PLGF12F11KLKB1PRSS1
SCHEMBL24252266 0.78 PLG (0.67) PLGF12F11KLKB1PRSS1
SCHEMBL30467809 0.76 PDE10A (0.46) DHFRLRRK2PDE10A
SCHEMBL24252260 0.76 PDE10A (0.46) DHFRLRRK2PDE10A
SCHEMBL25840702 0.75 PLG (0.34) PLGF12F11KLKB1PRSS1
SCHEMBL25840905 0.75 PLG (0.35) PLGF12F11KLKB1PRSS1
SCHEMBL24252686 0.74 LRRK2 (0.35) ENPP2DHFRLRRK2PDE10A
SCHEMBL24252292 0.74 PLG (0.34) PLGF12F11KLKB1PRSS1
SCHEMBL24252672 0.74 FEN1 (0.36) KDM4EALDH1A1PDE10A
SCHEMBL24252270 0.74 PDE10A (0.36) DHFRLRRK2PDE10A

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-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed