SCHEMBL28528206

SCHEMBL28528206

O=C(Cc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CSC12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.83
▸ TDP1 Q9NUW8 6/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ CTDSP1 Q9GZU7 2/20 0.53
▸ MAPT P10636 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ DUSP3 P51452 1/20 0.52
▸ PTPN5 P54829 1/20 0.52
▸ PTPN11 Q06124 1/20 0.52
▸ NAPEPLD Q6IQ20 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ DNMT1 P26358 1/20 0.45
▸ SLC22A6 Q4U2R8 1/20 0.45
▸ SLC22A8 Q8TCC7 1/20 0.45
▸ SLC22A11 Q9NSA0 1/20 0.45

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
SCHEMBL8766580 1.00 PLCG1 (0.83) PLCG1TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL8766584 1.00 PLCG1 (0.83) PLCG1TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL11056030 0.92 PLCG1 (0.69) PLCG1TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL11056035 0.92 PLCG1 (0.69) PLCG1TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL11581328 0.91 PLCG1 (0.71) PLCG1TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL11581330 0.91 PLCG1 (0.71) PLCG1TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL8664798 0.91 PLCG1 (0.81) PLCG1TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL10412277 0.91 PLCG1 (1.00) PLCG1TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL11674319 0.91 PLCG1 (0.81) PLCG1TDP1ALDH1A1L3MBTL1MAPK1
SCHEMBL11512916 0.91 PLCG1 (0.81) PLCG1TDP1ALDH1A1L3MBTL1MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321611-B Preparation method of cefixadine mother nucleus 湖北凌晟药业有限公司 2022-05-06 — — CN claimed
CN-112321611-A Preparation method of cefixadine mother nucleus 湖北凌晟药业有限公司 2021-02-05 — — CN claimed
CN-112321611-B Preparation method of cefixadine mother nucleus 湖北凌晟药业有限公司 2022-05-06 — — CN disclosed
CN-112321611-B Preparation method of cefixadine mother nucleus 湖北凌晟药业有限公司 2022-05-06 — — CN disclosed
CN-112321611-A Preparation method of cefixadine mother nucleus 湖北凌晟药业有限公司 2021-02-05 — — CN disclosed
CN-112321611-A Preparation method of cefixadine mother nucleus 湖北凌晟药业有限公司 2021-02-05 — — CN disclosed
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