SCHEMBL22010509

SCHEMBL22010509

CNc1ncc(/C=C/C(=O)N(C)Cc2c(C)oc3c(Oc4cccc(OC)c4)cccc23)cc1NCCC=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
EGFR P00533 2/20 0.31
BTK Q06187 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL22010757 0.89 SNCA (0.32)
SCHEMBL22010759 0.88 KDM4E (0.33) KDM4EALDH1A1GAAHPGDEGFR
SCHEMBL22011516 0.87 NPY2R (0.30)
SCHEMBL22010915 0.87
SCHEMBL22010781 0.86
SCHEMBL22010507 0.82 BRD4 (0.34)
SCHEMBL22010765 0.79 SNCA (0.31)
SCHEMBL13813400 0.75
SCHEMBL22011519 0.75
SCHEMBL22011029 0.75

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-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed