SCHEMBL28694366

SCHEMBL28694366

CN(C)C(=O)[C@@H]1C[C@H](Br)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
CCR5 P51681 2/20 0.40
HTT P42858 1/20 0.39
HTR2A P28223 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL28705506 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL28712277 0.89 POLB (0.45) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL30136909 0.89 POLB (0.45) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9208976 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9727986 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9687135 0.89 POLB (0.45) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9205224 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL336792 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL337168 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL20634425 0.86 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTDP1ATM

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
CN-114163371-A Meropenem side chain optical isomer, preparation method and application thereof, and detection method of impurities in Meropenem side chain 天津市敬业精细化工有限公司 2022-03-11 CN disclosed