SCHEMBL9600489

SCHEMBL9600489

O=C(O)C1=C(CSc2nnnn2CCO)CS[C@H]2C(NC(=O)C(=NOC(F)F)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C(=O)N12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.57
▸ PGR P06401 3/20 0.57
▸ TDP1 Q9NUW8 7/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ PPARG P37231 2/20 0.49
▸ SLC22A6 Q4U2R8 2/20 0.49
▸ SLC22A8 Q8TCC7 2/20 0.49
▸ SLC22A11 Q9NSA0 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ DAO P14920 1/20 0.49
▸ SNCA P37840 1/20 0.49
▸ CYP2J2 P51589 1/20 0.49
▸ ABCC4 O15439 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 5/20 0.46
▸ MAPT P10636 5/20 0.46

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
SCHEMBL9600479 1.00 NR1I2 (0.57) NR1I2PGRTDP1HSD17B10PPARG
SCHEMBL9600190 0.94 TDP1 (0.57) NR1I2PGRTDP1HSD17B10PPARG
SCHEMBL9600209 0.94 TDP1 (0.57) NR1I2PGRTDP1HSD17B10PPARG
SCHEMBL9602255 0.93 NR1I2 (0.66) NR1I2PGRTDP1HSD17B10PPARG
SCHEMBL9602244 0.93 NR1I2 (0.66) NR1I2PGRTDP1HSD17B10PPARG
SCHEMBL9599874 0.88 NR1I2 (0.52) NR1I2PGRTDP1HSD17B10PPARG
SCHEMBL9599865 0.88 NR1I2 (0.52) NR1I2PGRTDP1HSD17B10PPARG
SCHEMBL9602329 0.88 NR1I2 (0.73) NR1I2PGRTDP1HSD17B10PPARG
SCHEMBL9602323 0.88 NR1I2 (0.73) NR1I2PGRTDP1HSD17B10PPARG
SCHEMBL9601227 0.88 NR1I2 (0.52) NR1I2PGRTDP1HSD17B10PPARG

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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