SCHEMBL10645479

SCHEMBL10645479

CSC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)/C(=N/OCOC(C)(C)C)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.52
▸ TDP1 Q9NUW8 7/20 0.52
▸ APEX1 P27695 3/20 0.52
▸ APAF1 O14727 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PLCG1 P19174 1/20 0.52
▸ ABCC2 Q92887 1/20 0.52
▸ SIRT5 Q9NXA8 1/20 0.52
▸ NR1I2 O75469 5/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ PSMD14 O00487 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ PGR P06401 3/20 0.50
▸ PPARG P37231 2/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ MAPT P10636 4/20 0.49

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
SCHEMBL10645480 1.00 PTGS1 (0.52) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL10646060 0.92 TDP1 (0.53) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL10646054 0.92 TDP1 (0.53) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL10345747 0.91 TDP1 (0.55) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL10345748 0.91 TDP1 (0.55) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL10644310 0.89 TDP1 (0.62) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL10644304 0.89 TDP1 (0.62) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL10345862 0.87 PTGS1 (0.63) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL10345860 0.87 PTGS1 (0.63) PTGS1TDP1APEX1APAF1LMNA
SCHEMBL10643291 0.86 TDP1 (0.60) PTGS1TDP1APEX1APAF1LMNA

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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