SCHEMBL9600675

SCHEMBL9600675

Nc1nc(/C(=N\OC(F)F)C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4snc(O)c4C(=O)O)CS[C@H]23)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.61
▸ PGR P06401 2/20 0.61
▸ HTR2C P28335 1/20 0.60
▸ PPARG P37231 2/20 0.59
▸ SLC22A6 Q4U2R8 2/20 0.59
▸ SLC22A8 Q8TCC7 2/20 0.59
▸ SLC22A11 Q9NSA0 2/20 0.59
▸ DAO P14920 1/20 0.59
▸ SNCA P37840 1/20 0.59
▸ CYP2J2 P51589 1/20 0.59
▸ ABCC4 O15439 2/20 0.59
▸ MAPT P10636 5/20 0.58
▸ ALB P02768 1/20 0.58
▸ KMT2A Q03164 1/20 0.56
▸ TDP1 Q9NUW8 7/20 0.54
▸ APEX1 P27695 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54

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
SCHEMBL9600690 1.00 NR1I2 (0.61) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9462667 0.92 NR1I2 (0.60) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9705492 0.91 NR1I2 (0.62) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9705502 0.91 NR1I2 (0.62) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9847040 0.91 NR1I2 (0.59) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9847046 0.91 NR1I2 (0.59) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9463036 0.90 NR1I2 (0.56) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9600659 0.88 NR1I2 (0.63) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9600652 0.88 NR1I2 (0.63) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL9602482 0.87 NR1I2 (0.47) NR1I2PGRHTR2CPPARGSLC22A6

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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