SCHEMBL11040791

SCHEMBL11040791

Cn1nnnc1SCC1(C(=O)O)CS[C@@H]2C(NC(=O)C(=NOCC(=O)O)c3ncsn3)C(=O)N2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.40
▸ PGR P06401 2/20 0.40
▸ TDP1 Q9NUW8 10/20 0.35
▸ APAF1 O14727 2/20 0.35
▸ APEX1 P27695 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PLCG1 P19174 1/20 0.35
▸ ABCC2 Q92887 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PSMD14 O00487 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ SLC22A11 Q9NSA0 1/20 0.34
▸ POLB P06746 9/20 0.33
▸ MAPT P10636 8/20 0.33
▸ ALDH1A1 P00352 5/20 0.33

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
SCHEMBL11048029 0.93 NR1I2 (0.38) NR1I2PGRTDP1APAF1APEX1
SCHEMBL10939452 0.88 NR1I2 (0.46) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11044057 0.87 TDP1 (0.32) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11004980 0.85 NR1I2 (0.57) NR1I2PGRTDP1APAF1APEX1
SCHEMBL10840189 0.84 NR1I2 (0.42) NR1I2PGRTDP1APAF1APEX1
SCHEMBL9660164 0.83 NR1I2 (0.39) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11011011 0.83 NR1I2 (0.46) NR1I2PGRTDP1APAF1APEX1
SCHEMBL10937425 0.82 NR1I2 (0.43) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11357586 0.82 NR1I2 (0.49) NR1I2PGRTDP1APEX1LMNA
SCHEMBL10854742 0.82 NR1I2 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US claimed
US-4463003-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
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