SCHEMBL28873571

SCHEMBL28873571

CCC(C(=O)Cl)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ DAO P14920 1/20 0.45
▸ MDM2 Q00987 3/20 0.42
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GRIA1 P42261 2/20 0.39
▸ GRIA2 P42262 2/20 0.39
▸ GRIA3 P42263 2/20 0.39
▸ GRIA4 P48058 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL27801894 0.88 POLB (0.59) POLBMEN1CYP1A2KMT2ADAO
SCHEMBL28636118 0.79 POLB (0.63) POLBMEN1CYP1A2KMT2ADAO
SCHEMBL14622076 0.79 POLB (0.67) POLBMEN1CYP1A2KMT2ADAO
SCHEMBL27150275 0.77 POLB (0.47) POLBMEN1CYP1A2KMT2ADAO
SCHEMBL7443237 0.77 POLB (0.70) POLBMEN1CYP1A2KMT2ADAO
SCHEMBL10733561 0.76 POLB (0.63) POLBMEN1CYP1A2KMT2ADAO
SCHEMBL640651 0.74 POLB (0.59) POLBMEN1CYP1A2KMT2ADAO
SCHEMBL7017890 0.73 POLB (0.74) POLBMEN1CYP1A2KMT2ADAO
SCHEMBL2312588 0.73 POLB (0.48) POLBMEN1CYP1A2KMT2ADAO
SCHEMBL2312582 0.73 POLB (0.48) POLBMEN1CYP1A2KMT2ADAO

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-105037275-B The method for preparing Zilpaterol and its salt 英特威国际有限公司 2019-05-10 — — CN disclosed
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