SCHEMBL10831386

SCHEMBL10831386

CO/N=C(/C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C/C(=N\O)C(=O)O)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.79
▸ PGR P06401 2/20 0.79
▸ PPARG P37231 2/20 0.68
▸ SLC22A6 Q4U2R8 2/20 0.68
▸ SLC22A8 Q8TCC7 2/20 0.68
▸ SLC22A11 Q9NSA0 2/20 0.68
▸ DAO P14920 1/20 0.68
▸ SNCA P37840 1/20 0.68
▸ CYP2J2 P51589 1/20 0.68
▸ ABCC4 O15439 2/20 0.67
▸ HTR2C P28335 1/20 0.66
▸ MAPT P10636 5/20 0.63
▸ ALB P02768 1/20 0.63
▸ KMT2A Q03164 1/20 0.61
▸ TDP1 Q9NUW8 7/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ APEX1 P27695 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ RECQL P46063 2/20 0.60

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
SCHEMBL10831388 1.00 NR1I2 (0.79) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831331 0.96 NR1I2 (0.81) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831326 0.96 NR1I2 (0.81) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11183411 0.94 NR1I2 (0.83) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11183406 0.94 NR1I2 (0.83) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10998882 0.94 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10998892 0.94 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831364 0.92 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831368 0.92 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831967 0.92 NR1I2 (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4582908-A CHEMICAL INTERMEDIATES OF CEPHALOSPORIN DERIVATIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-15 — — US disclosed
US-4493834-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 — — US disclosed
US-4420477-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-13 — — US disclosed
EP-0029998-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-10 — — EP disclosed
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