SCHEMBL9602255

SCHEMBL9602255

Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC(F)F)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@@H]2SC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.66
▸ PGR P06401 3/20 0.66
▸ PPARG P37231 2/20 0.56
▸ SLC22A6 Q4U2R8 2/20 0.56
▸ SLC22A8 Q8TCC7 2/20 0.56
▸ SLC22A11 Q9NSA0 2/20 0.56
▸ POLB P06746 11/20 0.54
▸ MAPT P10636 10/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ CTDSP1 Q9GZU7 2/20 0.54
▸ TDP1 Q9NUW8 10/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ DAO P14920 1/20 0.51
▸ SNCA P37840 1/20 0.51
▸ CYP2J2 P51589 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ HSD17B10 Q99714 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ APEX1 P27695 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50

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
SCHEMBL9602244 1.00 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600489 0.93 NR1I2 (0.57) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600479 0.93 NR1I2 (0.57) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600209 0.92 TDP1 (0.57) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600190 0.92 TDP1 (0.57) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9602570 0.90 TDP1 (0.54) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9602574 0.90 TDP1 (0.54) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9601227 0.90 NR1I2 (0.52) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9601237 0.90 NR1I2 (0.52) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9599865 0.89 NR1I2 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188254-B1 CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 — — EP disclosed
US-4761410-A MICROBIOCIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-02 — — US disclosed
EP-0188254-A2 Cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-23 — — EP disclosed
Send feedback