SCHEMBL9602329

SCHEMBL9602329

Nc1nc(C(=NOC(F)F)C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4CCO)CS[C@@H]23)cs1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.73
▸ PGR P06401 2/20 0.73
▸ PPARG P37231 2/20 0.62
▸ SLC22A6 Q4U2R8 2/20 0.62
▸ SLC22A8 Q8TCC7 2/20 0.62
▸ SLC22A11 Q9NSA0 2/20 0.62
▸ DAO P14920 1/20 0.62
▸ SNCA P37840 1/20 0.62
▸ CYP2J2 P51589 1/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ TDP1 Q9NUW8 5/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ HTR2C P28335 1/20 0.58
▸ MAPT P10636 3/20 0.56
▸ APEX1 P27695 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56

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
SCHEMBL9602323 1.00 NR1I2 (0.73) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600751 0.93 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600745 0.93 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600471 0.92 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9600482 0.92 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11043515 0.92 NR1I2 (0.75) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL11238471 0.92 NR1I2 (0.75) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11043520 0.92 NR1I2 (0.75) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL11238474 0.92 NR1I2 (0.75) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11463469 0.92 NR1I2 (0.86) 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
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