SCHEMBL9602496

SCHEMBL9602496

O=C(NC1C(=O)N2CC(CSc3snc(O)c3C(=O)O)(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 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.33
▸ PGR P06401 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32
▸ APAF1 O14727 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ PLCG1 P19174 1/20 0.32
▸ ABCC2 Q92887 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PSMD14 O00487 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ HTR2C P28335 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PPARG P37231 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ALB P02768 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SLC22A6 Q4U2R8 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
SCHEMBL10834739 0.91 TDP1 (0.34) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9600364 0.88 NR1I2 (0.31) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9600703 0.88 NR1I2 (0.43) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9602770 0.88 NR1I2 (0.32) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9600283 0.87 NR1I2 (0.31) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9600730 0.87 NR1I2 (0.31) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9602584 0.86 TDP1 (0.37) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9601930 0.86 NR1I2 (0.33) NR1I2PGRTDP1APAF1LMNA
SCHEMBL9601254 0.86 NR1I2 (0.34) NR1I2PGRTDP1APEX1PPARG
SCHEMBL9602264 0.86 NR1I2 (0.43) NR1I2PGRTDP1APAF1LMNA

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 2 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
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