SCHEMBL2494481

SCHEMBL2494481

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.40
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSK P43235 1/20 0.34
NR1H2 P55055 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
AR P10275 3/20 0.32
MCL1 Q07820 2/20 0.32
USP30 Q70CQ3 1/20 0.32
AVPR2 P30518 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 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
SCHEMBL2499313 0.88 UCHL1 (0.39) UCHL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5352509 0.85 UCHL1 (0.42) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL30170063 0.84 P2RX3 (0.39) UCHL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5068851 0.84 AGTR2 (0.34) CTSKAVPR2
SCHEMBL2501733 0.83 UCHL1 (0.41) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL2502694 0.81 UCHL1 (0.40) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL2495165 0.81 UCHL1 (0.40) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL5359255 0.81 UCHL1 (0.54) UCHL1NR1H2CYP1A2POLBCYP3A4
SCHEMBL2500844 0.79 UCHL1 (0.39) UCHL1MEN1KMT2ANR1H2CYP1A2
SCHEMBL30955441 0.79 UCHL1 (0.43) UCHL1NR1H2CYP1A2POLBCYP3A4

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