SCHEMBL10649189

SCHEMBL10649189

CCSC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(=NOCC(=O)OC(C)(C)C)c3cscn3)[C@@H]2SC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.39
▸ APAF1 O14727 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ PLCG1 P19174 1/20 0.39
▸ ABCC2 Q92887 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NR1I2 O75469 5/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ PPARG P37231 3/20 0.38
▸ PGR P06401 3/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL10644360 0.94 TDP1 (0.40) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10644366 0.94 TDP1 (0.40) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10643866 0.90 CTDSP1 (0.39) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10643862 0.90 CTDSP1 (0.39) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10647950 0.90 TDP1 (0.52) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10647955 0.90 TDP1 (0.52) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10871802 0.90 TDP1 (0.52) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10937739 0.90 PTGS1 (0.42) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10937738 0.90 PTGS1 (0.42) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10647492 0.89 TDP1 (0.47) TDP1APAF1LMNATSHRAPEX1

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
EP-0057422-B1 NEW CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-10-12 — — EP disclosed
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