Cefalonium

Cefalonium

SCHEMBL28295839

NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccs4)[C@H]3SC2)cc1.O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12

nearest known ligand 0.95

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 12/20 0.95
HSD17B10 Q99714 7/20 0.95
LMNA P02545 5/20 0.95
MAPT P10636 8/20 0.88
KDM4E B2RXH2 5/20 0.88
HPGD P15428 4/20 0.88
KMT2A Q03164 4/20 0.88
MEN1 O00255 3/20 0.88
NR1I2 O75469 3/20 0.88
ALDH1A1 P00352 2/20 0.88
SLC22A6 Q4U2R8 2/20 0.88
SLC22A8 Q8TCC7 2/20 0.88
SLC22A11 Q9NSA0 2/20 0.88
ALOX15 P16050 1/20 0.88
RECQL P46063 1/20 0.88
PTGS1 P23219 1/20 0.88
PTPN11 Q06124 2/20 0.63
PTPN6 P29350 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
POLB P06746 3/20 0.62

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
Cefalonium SCHEMBL125252 0.98 TDP1 (1.00) TDP1HSD17B10LMNAMAPTKDM4E
Cefalonium SCHEMBL28323454 0.97 TDP1 (0.98) TDP1HSD17B10LMNAMAPTKDM4E
Cefalonium SCHEMBL28419781 0.97 TDP1 (0.98) TDP1HSD17B10LMNAMAPTKDM4E
Cefalonium SCHEMBL28172994 0.97 TDP1 (0.98) TDP1HSD17B10LMNAMAPTKDM4E
Cephaloridine SCHEMBL10665308 0.94 TDP1 (1.00) TDP1HSD17B10LMNAMAPTKDM4E
Cephaloridine SCHEMBL10665298 0.94 TDP1 (1.00) TDP1HSD17B10LMNAMAPTKDM4E
Cephaloridine SCHEMBL3936 0.94 TDP1 (1.00) TDP1HSD17B10LMNAMAPTKDM4E
Cephaloridine SCHEMBL2908926 0.94 TDP1 (1.00) TDP1HSD17B10LMNAMAPTKDM4E
Cephaloridine SCHEMBL7845737 0.93 TDP1 (0.98) TDP1HSD17B10LMNAMAPTKDM4E
Cephaloridine SCHEMBL19100513 0.93 TDP1 (0.98) TDP1HSD17B10LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109804245-A Early diagnosis of infection 米密德诊断学有限公司 2019-05-24 CN disclosed
CN-109661578-A Protein characterization for differentiating bacterial and viral infections 米密德诊断学有限公司 2019-04-19 CN disclosed