SCHEMBL740947

SCHEMBL740947

CC(C)(C)OC(=O)N1CCCC(C(=O)N(N)c2ccccc2Cl)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
USP30 Q70CQ3 6/20 0.46
STS P08842 2/20 0.43
HSD11B1 P28845 1/20 0.42
HPGD P15428 1/20 0.42
HPGDS O60760 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL740751 0.83 HPGD (0.44) ALDH1A1HPGDPOLB
SCHEMBL742853 0.82 STS (0.47) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL31758616 0.79 USP30 (0.52) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL739287 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL742792 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL3739373 0.77 USP30 (0.50) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL3731711 0.76 JAK2 (0.49) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL3884437 0.75 POLB (0.53) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL1865498 0.75 POLB (0.53) MEN1KMT2AALDH1A1MAPTUSP30
SCHEMBL14348057 0.75 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTUSP30

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed