SCHEMBL29957121

SCHEMBL29957121

Cc1ccc(OCc2cccnc2)c(B(O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.51
LIPE Q05469 1/20 0.47
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
HTR6 P50406 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
IKBKB O14920 1/20 0.43
KLK8 O60259 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
KLKB1 P03952 1/20 0.43
ELANE P08246 1/20 0.43
KLK14 Q9P0G3 1/20 0.43
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL29953323 0.85 LRRK2 (0.50) LRRK2LIPEHTR1ADRD2HTR6
SCHEMBL29957711 0.83 LIPE (0.69) LIPEHTR1ADRD2HTR6MEN1
SCHEMBL29957888 0.83 LIPE (0.47) LRRK2LIPEKDM4EHSD17B10LMNA
SCHEMBL1753346 0.83 LIPE (0.68) LRRK2LIPEKDM4EMAPTLMNA
SCHEMBL29951117 0.81 ENPP2 (0.55) LIPEHTR1AHTR6ENPP2
SCHEMBL17858634 0.81 MRGPRX4 (0.55) LRRK2HTR1ADRD2HTR6KDM4E
SCHEMBL171231 0.81 LMNA (0.60) LRRK2HTR1ADRD2KDM4EMEN1
SCHEMBL2038082 0.81 LRRK2 (0.50) LRRK2HTR1ADRD2HTR6KDM4E
SCHEMBL29538704 0.80 LRRK2 (0.50) LRRK2HTR1ADRD2HTR6KDM4E
SCHEMBL2562185 0.79 LIPE (0.53) LIPEMEN1MAPTKMT2ALMNA

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