SCHEMBL9876816

SCHEMBL9876816

C=CSC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.72
▸ HTR2C P28335 1/20 0.72
▸ MAPT P10636 4/20 0.69
▸ PPARG P37231 2/20 0.69
▸ SLC22A6 Q4U2R8 2/20 0.69
▸ SLC22A8 Q8TCC7 2/20 0.69
▸ SLC22A11 Q9NSA0 2/20 0.69
▸ ALB P02768 1/20 0.69
▸ TDP1 Q9NUW8 6/20 0.65
▸ APEX1 P27695 3/20 0.65
▸ APAF1 O14727 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.65
▸ TSHR P16473 1/20 0.65
▸ PLCG1 P19174 1/20 0.65
▸ ABCC2 Q92887 1/20 0.65
▸ SIRT5 Q9NXA8 1/20 0.65
▸ PGR P06401 3/20 0.65
▸ PTGS2 P35354 1/20 0.65
▸ PSMD14 O00487 1/20 0.65

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
SCHEMBL9876808 1.00 NR1I2 (0.72) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9876873 0.91 TDP1 (0.80) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9876877 0.91 TDP1 (0.80) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11122783 0.91 NR1I2 (0.76) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11122775 0.91 NR1I2 (0.76) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9481859 0.88 TDP1 (0.83) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9481831 0.88 TDP1 (0.83) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL6875200 0.88 NR1I2 (0.76) NR1I2HTR2CMAPTPPARGSLC22A6
Hydrochloric Acid SCHEMBL9482518 0.88 TDP1 (0.84) NR1I2HTR2CMAPTPPARGSLC22A6
Hydrochloric Acid SCHEMBL9482500 0.88 TDP1 (0.84) 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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