SCHEMBL11112566

SCHEMBL11112566

C#CCO/N=C(/C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.71
▸ MAPT P10636 4/20 0.71
▸ PPARG P37231 2/20 0.71
▸ SLC22A6 Q4U2R8 2/20 0.71
▸ SLC22A8 Q8TCC7 2/20 0.71
▸ SLC22A11 Q9NSA0 2/20 0.71
▸ ALB P02768 1/20 0.71
▸ HTR2C P28335 1/20 0.69
▸ TDP1 Q9NUW8 7/20 0.61
▸ APEX1 P27695 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ APAF1 O14727 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ PLCG1 P19174 1/20 0.61
▸ ABCC2 Q92887 1/20 0.61
▸ SIRT5 Q9NXA8 1/20 0.61
▸ ABCC4 O15439 3/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61

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
SCHEMBL11112574 1.00 NR1I2 (0.71) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9781622 0.94 NR1I2 (0.81) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9021355 0.94 NR1I2 (0.81) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL10969086 0.94 NR1I2 (0.81) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9781635 0.94 NR1I2 (0.81) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9329722 0.92 NR1I2 (0.72) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9329732 0.92 NR1I2 (0.72) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11105212 0.91 NR1I2 (0.76) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL11105207 0.91 NR1I2 (0.76) NR1I2MAPTPPARGSLC22A6SLC22A8
SCHEMBL9781644 0.91 NR1I2 (0.68) NR1I2MAPTPPARGSLC22A6SLC22A8

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-4431643-A CEPHALOSPORINS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-14 — — US disclosed
US-4331664-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 — — US disclosed
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