SCHEMBL2789087

SCHEMBL2789087

COc1ncc(C#C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(N)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ PIK3CA P42336 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ BACE1 P56817 2/20 0.36
▸ CTSD P07339 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ SRC P12931 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL2789086 1.00 ALOX5AP (0.39) ALOX5APFEN1PIK3CDPIK3CAMEN1
SCHEMBL7903139 0.81 PIK3CA (0.41) ALOX5APFEN1PIK3CDPIK3CAMEN1
SCHEMBL2793629 0.79 BACE1 (0.40) ALOX5APFEN1MEN1ALDH1A1MAPT
SCHEMBL2793627 0.79 BACE1 (0.40) ALOX5APFEN1MEN1ALDH1A1MAPT
SCHEMBL20284451 0.78 GPR119 (0.45) ALOX5APFEN1MEN1ALDH1A1MAPT
SCHEMBL20284097 0.78 GPR119 (0.43) ALOX5APFEN1MEN1ALDH1A1MAPT
SCHEMBL16041337 0.77 MEN1 (0.39) ALOX5APFEN1MEN1ALDH1A1MAPT
SCHEMBL31652058 0.76 USP30 (0.45) ALOX5APFEN1MEN1ALDH1A1MAPT
SCHEMBL2792024 0.76 GPR119 (0.43) ALOX5APFEN1MEN1ALDH1A1MAPT
SCHEMBL2792027 0.76 GPR119 (0.43) ALOX5APFEN1MEN1ALDH1A1MAPT

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed
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