SCHEMBL10939452

SCHEMBL10939452

Cn1nnnc1SCC1(C(=O)O)CS[C@@H]2C(NC(=O)C(=NOCC(=O)O)c3cscn3)C(=O)N2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.46
▸ PGR P06401 3/20 0.46
▸ TDP1 Q9NUW8 9/20 0.38
▸ APEX1 P27695 3/20 0.38
▸ APAF1 O14727 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PLCG1 P19174 1/20 0.38
▸ ABCC2 Q92887 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ PPARG P37231 2/20 0.35
▸ SLC22A6 Q4U2R8 2/20 0.35
▸ SLC22A8 Q8TCC7 2/20 0.35
▸ SLC22A11 Q9NSA0 2/20 0.35
▸ MAPT P10636 8/20 0.34
▸ POLB P06746 8/20 0.34
▸ ALDH1A1 P00352 6/20 0.34

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
SCHEMBL10937425 0.94 NR1I2 (0.43) NR1I2PGRTDP1APEX1APAF1
SCHEMBL10673953 0.89 TDP1 (0.40) NR1I2PGRTDP1APEX1APAF1
SCHEMBL11004980 0.88 NR1I2 (0.57) NR1I2PGRTDP1APEX1APAF1
SCHEMBL11040791 0.88 NR1I2 (0.40) NR1I2PGRTDP1APEX1APAF1
SCHEMBL10939736 0.87 CTDSP1 (0.38) NR1I2PGRTDP1APEX1APAF1
SCHEMBL10935306 0.87 NR1I2 (0.35) NR1I2PGRTDP1APEX1APAF1
SCHEMBL10938969 0.86 TDP1 (0.36) NR1I2PGRTDP1APEX1APAF1
SCHEMBL11011011 0.86 NR1I2 (0.46) NR1I2PGRTDP1APEX1APAF1
SCHEMBL10938846 0.85 TDP1 (0.37) NR1I2PGRTDP1APEX1APAF1
SCHEMBL10678876 0.85 TDP1 (0.41) NR1I2PGRTDP1APEX1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499088-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-02-12 — — US disclosed
Send feedback