SCHEMBL9877969

SCHEMBL9877969

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(OS(C)(=O)=O)CS[C@H]12)c1nsc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 7/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ MAPT P10636 3/20 0.51
▸ PPARG P37231 2/20 0.51
▸ SLC22A6 Q4U2R8 2/20 0.51
▸ SLC22A8 Q8TCC7 2/20 0.51
▸ SLC22A11 Q9NSA0 2/20 0.51
▸ ALB P02768 1/20 0.51
▸ PGR P06401 4/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ DAO P14920 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ CYP2J2 P51589 1/20 0.45
▸ APEX1 P27695 3/20 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
SCHEMBL9877977 1.00 NR1I2 (0.53) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11390428 0.92 NR1I2 (0.56) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9877481 0.91 KCNH2 (0.55) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9877478 0.91 KCNH2 (0.55) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL6238927 0.87 KCNH2 (0.45) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL6233533 0.87 KCNH2 (0.45) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9481752 0.85 TDP1 (0.61) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9481268 0.85 TDP1 (0.61) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9781629 0.85 NR1I2 (0.62) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9781634 0.85 NR1I2 (0.62) NR1I2HTR2CMAPTPPARGSLC22A6

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
US-4985555-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 — — US disclosed
US-4871730-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-03 — — US disclosed
EP-0268307-A2 New starting compounds for cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-25 — — EP disclosed
EP-0133678-A2 New cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-06 — — EP disclosed
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