SCHEMBL9602336

SCHEMBL9602336

Nc1nc(C(=NOC(F)F)C(=O)NC2C(=O)N3CC(CSc4nnnn4CCO)(C(=O)O)CS[C@H]23)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.48
▸ PGR P06401 4/20 0.48
▸ TDP1 Q9NUW8 5/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ APEX1 P27695 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PLCG1 P19174 1/20 0.40
▸ ABCC2 Q92887 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ PPARG P37231 3/20 0.39
▸ SLC22A6 Q4U2R8 2/20 0.39
▸ SLC22A8 Q8TCC7 2/20 0.39
▸ SLC22A11 Q9NSA0 2/20 0.39
▸ DAO P14920 1/20 0.39
▸ SNCA P37840 1/20 0.39

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
SCHEMBL9600756 0.93 NR1I2 (0.47) NR1I2PGRTDP1APAF1APEX1
SCHEMBL9600490 0.93 NR1I2 (0.56) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11047363 0.91 NR1I2 (0.48) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11374426 0.89 NR1I2 (0.49) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11181632 0.88 NR1I2 (0.48) NR1I2PGRTDP1APAF1APEX1
Hydrochloric Acid SCHEMBL11045912 0.88 NR1I2 (0.48) NR1I2PGRTDP1APAF1APEX1
SCHEMBL9600499 0.88 NR1I2 (0.37) NR1I2PGR
SCHEMBL11009956 0.87 NR1I2 (0.57) NR1I2PGRTDP1APEX1LMNA
SCHEMBL11046012 0.87 NR1I2 (0.49) NR1I2PGRTDP1APAF1APEX1
SCHEMBL10981397 0.87 NR1I2 (0.46) NR1I2PGRTDP1APAF1APEX1

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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