SCHEMBL11411369

SCHEMBL11411369

Cn1c(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)C(=NO)c4csc(N)n4)[C@@H]3SC2)nnc(O)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.67
▸ PGR P06401 2/20 0.67
▸ PPARG P37231 2/20 0.64
▸ SLC22A6 Q4U2R8 2/20 0.64
▸ SLC22A8 Q8TCC7 2/20 0.64
▸ SLC22A11 Q9NSA0 2/20 0.64
▸ DAO P14920 1/20 0.64
▸ SNCA P37840 1/20 0.64
▸ CYP2J2 P51589 1/20 0.64
▸ ABCC4 O15439 2/20 0.63
▸ TDP1 Q9NUW8 6/20 0.60
▸ MAPT P10636 4/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.60
▸ HTR2C P28335 1/20 0.59
▸ ALB P02768 1/20 0.57
▸ HSD17B10 Q99714 2/20 0.56
▸ APEX1 P27695 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56

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
SCHEMBL11411364 1.00 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9684441 1.00 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10633199 0.93 NR1I2 (0.79) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11397228 0.93 NR1I2 (0.79) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9683697 0.93 NR1I2 (0.79) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10633185 0.93 NR1I2 (0.79) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11416748 0.92 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9684453 0.92 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11416735 0.92 NR1I2 (0.64) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11411569 0.91 NR1I2 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4200745-A 7[2-(2-Aminothiazol-4-yl)-2-alkoxyimino]acetamido 3[4-alkyl-5-oxo-6-hydroxy-3,4 dihydro 1,2,4-triazin 3-yl]thio methyl cephalosporins ELI LILLY AND COMPANY (US) 1980-04-29 — — US disclosed
EP-0002605-A1 Cephalosporin compounds and formulations containing them for use in the treatment of bacterial infections and the preparation of the cephalosporin compounds ELI LILLY AND COMPANY (US) 1979-06-27 — — EP disclosed
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