SCHEMBL13880913

SCHEMBL13880913

COc1cc(C(=O)NC2CCN(CCO)CC2)c(F)cc1N

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 13/20 0.68
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL3539061 0.89 KDM4E (0.69) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL1163804 0.88 KDM4E (0.51) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL3942580 0.84 HTR4 (0.47) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL3538922 0.84 HTR4 (0.47) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL13457657 0.82 KDM4E (0.49) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL13881168 0.81 KMT2A (0.47) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL10486812 0.81 HTR4 (1.00) HTR4
SCHEMBL12388397 0.81 HTR4 (0.65) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL1560209 0.81 HTR4 (0.64) HTR4
SCHEMBL13880939 0.80 KDM4E (0.53) HTR4KDM4EMEN1MAPTKMT2A

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-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed