SCHEMBL10345747

SCHEMBL10345747

COC(=O)CO/N=C(/C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(SC)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.55
▸ APEX1 P27695 3/20 0.55
▸ APAF1 O14727 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PLCG1 P19174 1/20 0.55
▸ ABCC2 Q92887 1/20 0.55
▸ SIRT5 Q9NXA8 1/20 0.55
▸ NR1I2 O75469 6/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ PSMD14 O00487 1/20 0.54
▸ MMP2 P08253 1/20 0.54
▸ PTGS1 P23219 2/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ MAPT P10636 3/20 0.53
▸ PPARG P37231 2/20 0.53
▸ SLC22A6 Q4U2R8 2/20 0.53
▸ SLC22A8 Q8TCC7 2/20 0.53

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
SCHEMBL10345748 1.00 TDP1 (0.55) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10646060 0.94 TDP1 (0.53) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10646054 0.94 TDP1 (0.53) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10644623 0.92 TDP1 (0.60) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10643291 0.92 TDP1 (0.60) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10643198 0.91 PTGS1 (0.54) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10643194 0.91 PTGS1 (0.54) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10645480 0.91 PTGS1 (0.52) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10645479 0.91 PTGS1 (0.52) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345548 0.90 TDP1 (0.56) TDP1APEX1APAF1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191507-B1 NEW 2-OXYIMINO-3-OXOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-16 — — EP disclosed
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
US-4452851-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-06-05 — — US disclosed
EP-0057422-A2 New cephem compounds, processes for preparation thereof and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-08-11 — — EP disclosed
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