SCHEMBL9601930

SCHEMBL9601930

O=C(NC1C(=O)N2CC(CSc3nncs3)(C(=O)O)CS[C@H]12)C(=NOC(F)F)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.33
▸ PGR P06401 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.31
▸ APAF1 O14727 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ PLCG1 P19174 1/20 0.31
▸ ABCC2 Q92887 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PSMD14 O00487 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL9601608 0.91 CTDSP1 (0.35) NR1I2PGRTDP1LMNATSHR
SCHEMBL9600730 0.90 NR1I2 (0.31) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9602770 0.90 NR1I2 (0.32) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9602264 0.89 NR1I2 (0.43) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9600283 0.89 NR1I2 (0.31) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9600364 0.88 NR1I2 (0.31) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9600014 0.88 TDP1 (0.34) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9600499 0.87 NR1I2 (0.37) NR1I2PGR
SCHEMBL9600691 0.87 NR1I2 (0.43) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9601254 0.87 NR1I2 (0.34) NR1I2PGRTDP1APEX1ESR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61165392-A — — None — — JP disclosed
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
JP-S61165392-A NOVEL CEPHEM COMPOUND AND PREPARATION THEREOF FUJISAWA PHARMACEUT CO LTD 1986-07-26 — — JP 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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