SCHEMBL2552329

SCHEMBL2552329

CCN(C(=O)OC(C)(C)C)c1ccc(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.42
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PTK2 Q05397 2/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SSTR4 P31391 1/20 0.36
DGAT1 O75907 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
FPR2 P25090 1/20 0.34
POLB P06746 1/20 0.33
NR2F2 P24468 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
SCHEMBL27906114 0.90 AAK1 (0.40) AAK1LMNAL3MBTL1USP30PTK2
SCHEMBL17572193 0.85 AAK1 (0.39) AAK1USP30PTK2ALDH1A1SSTR4
SCHEMBL27906122 0.84 AAK1 (0.41) AAK1LMNAL3MBTL1ALDH1A1
SCHEMBL4015276 0.82 SIRT2 (0.43) AAK1LMNAL3MBTL1USP30ALDH1A1
SCHEMBL3635744 0.81 SSTR4 (0.38) AAK1LMNAMAPTALDH1A1SSTR4
SCHEMBL31255675 0.81 KDM4E (0.35) AAK1L3MBTL1PTK2MAPTALDH1A1
SCHEMBL2553564 0.80 PTK2 (0.44) LMNAL3MBTL1PTK2MAPTALDH1A1
SCHEMBL3987633 0.80 USP30 (0.41) AAK1LMNAL3MBTL1USP30PTK2
SCHEMBL2552511 0.77 TSHR (0.41) AAK1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL2946714 0.76 SSTR4 (0.37) AAK1USP30MAPTALDH1A1SSTR4

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-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed