SCHEMBL2499313

SCHEMBL2499313

CN(C)C(=O)[C@@H]1C[C@@H](OCCC#N)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.39
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSK P43235 1/20 0.33
NR1H2 P55055 2/20 0.32
AR P10275 1/20 0.31
MCL1 Q07820 2/20 0.31
USP30 Q70CQ3 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR1H3 Q13133 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL30955459 0.89 UCHL1 (0.34) UCHL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL2494481 0.88 UCHL1 (0.40) UCHL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL2501733 0.86 UCHL1 (0.41) UCHL1NR1H2MCL1CYP1A2POLB
SCHEMBL27020772 0.85 P2RX3 (0.38) UCHL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5068670 0.84 AGTR2 (0.32)
SCHEMBL2495165 0.84 UCHL1 (0.40) UCHL1NR1H2MCL1GPR119CYP1A2
SCHEMBL5352509 0.83 UCHL1 (0.42) UCHL1NR1H2MCL1GPR119CYP1A2
SCHEMBL2502694 0.81 UCHL1 (0.40) UCHL1NR1H2MCL1CYP1A2POLB
SCHEMBL2495065 0.80 UCHL1 (0.40) UCHL1NR1H2MCL1
SCHEMBL5359255 0.79 UCHL1 (0.54) UCHL1NR1H2MCL1USP30CYP1A2

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-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed