SCHEMBL30453076

SCHEMBL30453076

COc1ccc(B(O)O)cc1-c1ccc2c(O)nncc2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PDE10A Q9Y233 8/20 0.34
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
PLAU P00749 2/20 0.32
ABL1 P00519 2/20 0.32
PLG P00747 1/20 0.32
MPO P05164 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
SCHEMBL24252683 1.00 DHFR (0.36) DHFRESR1ESR2PDE10AIDO1
SCHEMBL26771385 0.92 DHFR (0.35) DHFRESR1ESR2PDE10AIDO1
SCHEMBL24252259 0.87 DHFR (0.42) DHFRPDE10APLAUPLG
SCHEMBL24252484 0.83 ABL1 (0.46) PDE10APLAUABL1PLG
SCHEMBL30451992 0.83 ABL1 (0.46) PDE10APLAUABL1PLG
Formic Acid SCHEMBL25257239 0.82 DHFR (0.39) DHFRPDE10APLAUPLG
Formic Acid SCHEMBL30452356 0.82 DHFR (0.39) DHFRPDE10APLAUPLG
SCHEMBL30451917 0.81 PDE10A (0.42) DHFRPDE10A
SCHEMBL24252302 0.81 PDE10A (0.42) DHFRPDE10A
SCHEMBL26771035 0.79 DHFR (0.41) DHFRPDE10APLAUPLG

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