SCHEMBL16319289

SCHEMBL16319289

COc1ccc(F)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2CC(C)(C)C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.34
KDM1A O60341 1/20 0.32
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA9 Q16790 4/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
USP8 P40818 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 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
SCHEMBL16318905 0.85 FFAR1 (0.33) FFAR1CA12CA1CA9PIK3CD
SCHEMBL16319224 0.82 FFAR1 (0.40) FFAR1PIK3CDPIK3CB
SCHEMBL16318652 0.80 SMN1; SMN2 (0.32) FFAR1CA12CA1CA9MEN1
SCHEMBL16319169 0.80 BACE1 (0.33) FFAR1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL16319029 0.76 CA12 (0.39) CA12CA1CA9
SCHEMBL16318919 0.73 FFAR1 (0.43) FFAR1KDM1A
SCHEMBL2501349 0.72 FFAR1 (0.49) FFAR1
SCHEMBL26978693 0.72 FFAR1 (0.42) FFAR1
SCHEMBL16318790 0.70 IDO1 (0.35) FFAR1CA12CA1CA9MAPT
SCHEMBL4979875 0.69 CA12 (0.43) CA12CA1CA9

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
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed