SCHEMBL9876877

SCHEMBL9876877

C=CSC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)O)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.80
▸ APEX1 P27695 3/20 0.80
▸ APAF1 O14727 2/20 0.80
▸ LMNA P02545 2/20 0.80
▸ L3MBTL1 Q9Y468 2/20 0.80
▸ TSHR P16473 1/20 0.80
▸ PLCG1 P19174 1/20 0.80
▸ ABCC2 Q92887 1/20 0.80
▸ SIRT5 Q9NXA8 1/20 0.80
▸ PSMD14 O00487 1/20 0.78
▸ MMP2 P08253 1/20 0.78
▸ MAPT P10636 4/20 0.62
▸ ABCC4 O15439 3/20 0.62
▸ CNR1 P21554 1/20 0.62
▸ CTDSP1 Q9GZU7 1/20 0.62
▸ NR1I2 O75469 5/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ PPARG P37231 2/20 0.59
▸ SLC22A6 Q4U2R8 2/20 0.59
▸ SLC22A8 Q8TCC7 2/20 0.59

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
SCHEMBL9876873 1.00 TDP1 (0.80) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9876816 0.91 NR1I2 (0.72) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9876808 0.91 NR1I2 (0.72) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10569126 0.91 TDP1 (0.76) TDP1APEX1APAF1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL10645846 0.90 TDP1 (0.75) TDP1APEX1APAF1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL10645840 0.90 TDP1 (0.75) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345323 0.90 TDP1 (0.75) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345326 0.90 TDP1 (0.75) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10491351 0.90 TDP1 (0.71) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345443 0.89 TDP1 (0.73) 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
US-4985555-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 — — US disclosed
US-4871730-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-03 — — US disclosed
EP-0268307-A2 New starting compounds for cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-25 — — EP disclosed
EP-0133678-A2 New cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-06 — — EP disclosed
Send feedback