SCHEMBL29587230

SCHEMBL29587230

CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(NC=O)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 8/20 0.79
▸ MAPT P10636 4/20 0.79
▸ SLC22A6 Q4U2R8 3/20 0.79
▸ SLC22A8 Q8TCC7 3/20 0.79
▸ SLC22A11 Q9NSA0 3/20 0.79
▸ PPARG P37231 2/20 0.79
▸ ALB P02768 1/20 0.79
▸ TDP1 Q9NUW8 6/20 0.68
▸ APEX1 P27695 2/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ ABCC4 O15439 2/20 0.68
▸ L3MBTL1 Q9Y468 2/20 0.68
▸ HTR2C P28335 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ RECQL P46063 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68

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
SCHEMBL9658284 1.00 NR1I2 (0.79) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9658310 0.94 NR1I2 (0.71) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9658307 0.94 NR1I2 (0.71) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL8868354 0.93 NR1I2 (0.78) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL8868357 0.93 NR1I2 (0.78) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL11058020 0.93 TDP1 (0.79) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL10955064 0.93 NR1I2 (0.68) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL11058017 0.93 TDP1 (0.79) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9683726 0.91 NR1I2 (0.81) NR1I2MAPTSLC22A6SLC22A8SLC22A11
SCHEMBL11135071 0.91 NR1I2 (0.67) NR1I2MAPTSLC22A6SLC22A8SLC22A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478577-A Preparation method of N-formyl cefotaxime 河北合佳创新医药科技有限公司 2022-05-13 — — CN claimed
CN-114478577-A Preparation method of N-formyl cefotaxime 河北合佳创新医药科技有限公司 2022-05-13 — — CN disclosed
CN-114478577-A Preparation method of N-formyl cefotaxime 河北合佳创新医药科技有限公司 2022-05-13 — — CN disclosed
CN-114478577-A Preparation method of N-formyl cefotaxime 河北合佳创新医药科技有限公司 2022-05-13 — — CN disclosed
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