Ceftriaxone

Ceftriaxone

SCHEMBL5594993

CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CSC12)c1csc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Ceftriaxone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 1.00
PGR P06401 3/20 1.00
PPARG P37231 2/20 1.00
SLC22A6 Q4U2R8 2/20 1.00
SLC22A8 Q8TCC7 2/20 1.00
SLC22A11 Q9NSA0 2/20 1.00
DAO P14920 1/20 1.00
SNCA P37840 1/20 1.00
CYP2J2 P51589 1/20 1.00
ABCC4 O15439 2/20 0.99
HTR2C P28335 1/20 0.70
TDP1 Q9NUW8 6/20 0.69
MAPT P10636 5/20 0.69
APEX1 P27695 3/20 0.69
HSD17B10 Q99714 3/20 0.69
ALDH1A1 P00352 2/20 0.69
POLB P06746 2/20 0.69
RECQL P46063 2/20 0.69
CYP2D6 P10635 1/20 0.69
KDM4E B2RXH2 1/20 0.69

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
Ceftriaxone SCHEMBL13385441 1.00 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL16072839 1.00 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL23356 1.00 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL1447498 1.00 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL14896587 1.00 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL18814713 1.00 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL23355 1.00 NR1I2 (1.00) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL4885124 0.99 NR1I2 (0.99) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL5846120 0.99 NR1I2 (0.99) NR1I2PGRPPARGSLC22A6SLC22A8
Ceftriaxone SCHEMBL28414442 0.99 NR1I2 (0.99) NR1I2PGRPPARGSLC22A6SLC22A8

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
EP-0837630-B1 PRODRUGS OF PHARMACEUTICALS WITH IMPROVED BIOAVAILABILITY HOSTETLER KARL Y (US) 2007-12-26 EP disclosed