SCHEMBL10528604

SCHEMBL10528604

C=CC1=C(C(=O)OCC(=O)OC(C)(C)C)N2C(=O)C(NC(=O)C(=NO)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.71
▸ MAPT P10636 5/20 0.71
▸ ABCC4 O15439 2/20 0.71
▸ CNR1 P21554 1/20 0.71
▸ CTDSP1 Q9GZU7 1/20 0.71
▸ APEX1 P27695 3/20 0.64
▸ APAF1 O14727 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ TSHR P16473 1/20 0.64
▸ PLCG1 P19174 1/20 0.64
▸ ABCC2 Q92887 1/20 0.64
▸ SIRT5 Q9NXA8 1/20 0.64
▸ PSMD14 O00487 1/20 0.63
▸ MMP2 P08253 1/20 0.63
▸ PTGS1 P23219 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ FAP Q12884 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ USP2 O75604 1/20 0.56

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
SCHEMBL10526898 1.00 TDP1 (0.71) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10529246 0.90 TDP1 (0.80) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10529257 0.90 TDP1 (0.80) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL8651470 0.90 TDP1 (0.73) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10526980 0.89 TDP1 (0.73) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10526986 0.89 TDP1 (0.73) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9840543 0.88 MAPT (0.56) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL14430301 0.88 TDP1 (0.78) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL8673690 0.87 TDP1 (0.82) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL6416850 0.87 TDP1 (0.82) TDP1MAPTABCC4CNR1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105459-B1 SYN-ISOMER OF 7-SUBSTITUTED-3-VINYL-3-CEPHEM COMPOUNDS, PROCESSES FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-03-22 — — EP claimed
US-4559334-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-17 — — US claimed
EP-0105459-A2 Syn-isomer of 7-substituted-3-vinyl-3-cephem compounds, processes for production thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-04-18 — — EP claimed
EP-0105459-B1 SYN-ISOMER OF 7-SUBSTITUTED-3-VINYL-3-CEPHEM COMPOUNDS, PROCESSES FOR PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-03-22 — — EP disclosed
US-4559334-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-17 — — US disclosed
EP-0105459-A2 Syn-isomer of 7-substituted-3-vinyl-3-cephem compounds, processes for production thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-04-18 — — EP disclosed
Send feedback