SCHEMBL10644255

SCHEMBL10644255

CCSC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)/C(=N/OCC(=O)OC(C)(C)C)c3csc(NC=O)n3)[C@H]2SC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PLCG1 P19174 1/20 0.42
▸ ABCC2 Q92887 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ NR1I2 O75469 5/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ PPARG P37231 3/20 0.39
▸ PGR P06401 3/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39

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
SCHEMBL10644260 1.00 TDP1 (0.42) TDP1APAF1APEX1LMNATSHR
SCHEMBL10643264 0.94 TDP1 (0.43) TDP1APAF1APEX1LMNATSHR
SCHEMBL10643252 0.94 TDP1 (0.43) TDP1APAF1APEX1LMNATSHR
SCHEMBL10647950 0.91 TDP1 (0.52) TDP1APAF1APEX1LMNATSHR
SCHEMBL10647955 0.91 TDP1 (0.52) TDP1APAF1APEX1LMNATSHR
SCHEMBL10871802 0.91 TDP1 (0.52) TDP1APAF1APEX1LMNATSHR
SCHEMBL10643404 0.90 TDP1 (0.38) TDP1APAF1APEX1LMNATSHR
SCHEMBL10643411 0.90 TDP1 (0.38) TDP1APAF1APEX1LMNATSHR
SCHEMBL9482476 0.90 PTGS1 (0.44) TDP1APAF1APEX1LMNATSHR
SCHEMBL9482468 0.90 PTGS1 (0.44) TDP1APAF1APEX1LMNATSHR

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 3 patents. 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
EP-0191507-A2 New 2-oxyimino-3-oxobutyric acid derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-08-20 — — EP disclosed
US-4452851-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-06-05 — — US disclosed
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