SCHEMBL1850232

SCHEMBL1850232

COc1cccc(CCOc2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)n2)c1OC.COc1cccc(CCOc2cccc(-c3cccc(C(=O)O)c3)n2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.49
MAP4K4 O95819 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ATR Q13535 2/20 0.45
PTK2 Q05397 1/20 0.45
DRD4 P21917 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR52 Q9Y2T5 2/20 0.45
CAMK2D Q13557 1/20 0.42
DRD2 P14416 1/20 0.42
POLB P06746 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL960760 0.83 GPR52 (0.53) F10MAP4K4ATRMEN1KMT2A
SCHEMBL12918989 0.81 ABCB1 (0.49) F10MAP4K4SMN1; SMN2ATRPTK2
SCHEMBL961496 0.81 SMYD2 (0.56) MAP4K4DRD4GPR52DRD2HTR3A
SCHEMBL963739 0.80 F10 (0.62) F10MAP4K4ATRMEN1KMT2A
SCHEMBL12919090 0.77 MAP4K4 (0.54) MAP4K4KMT2AGPR52
SCHEMBL12918986 0.75 DRD4 (0.51) F10MAP4K4ATRPTK2DRD4
SCHEMBL963885 0.75 F10 (0.51) F10MAP4K4SMN1; SMN2MEN1KMT2A
SCHEMBL12919097 0.74 GPR52 (0.51) F10DRD4GPR52DRD2POLB
SCHEMBL958719 0.73 MAP4K4 (0.54) MAP4K4ATRDRD4MEN1KMT2A
SCHEMBL959854 0.73 F10 (0.51) F10MAP4K4ATRKMT2APOLB

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
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed