SCHEMBL31662428

SCHEMBL31662428

Cn1ncc2cc(C(=O)O)c(Oc3ccc(OCCOC4CCOCC4)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
HAO1 Q9UJM8 2/20 0.36
LRRK2 Q5S007 1/20 0.36
MIF P14174 1/20 0.36
MAPK14 Q16539 2/20 0.34
DRD4 P21917 2/20 0.34
MAPK1 P28482 2/20 0.34
CD38 P28907 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33

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
SCHEMBL31661945 0.93 LRRK2 (0.36) HAO1LRRK2MAPK14DRD4MAPK1
SCHEMBL31662165 0.92 IRAK4 (0.37) LRRK2CD38
SCHEMBL31662770 0.91 CD38 (0.36) LRRK2MAPK14MAPK1CD38HIPK4
SCHEMBL31662475 0.90 GCK (0.34) DHODHMIFMAPK1KDM4E
SCHEMBL31662412 0.89 DRD4 (0.35) DHODHHAO1LRRK2MIFDRD4
SCHEMBL31662086 0.88 LRRK2 (0.34) HAO1LRRK2MAPK14DRD4MAPK1
SCHEMBL31661929 0.88 IRAK4 (0.37) LRRK2HRH3
SCHEMBL31662279 0.87 IRAK4 (0.37) LRRK2MAPK1CHRM1
SCHEMBL31662162 0.87 IRAK4 (0.37) LRRK2MAPK1CHRM1
SCHEMBL31662135 0.87 IRAK4 (0.37) LRRK2MAPK1CHRM1

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed