SCHEMBL9286953

SCHEMBL9286953

Nc1nc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(OC(=O)O)=C(/C=C\c4cncnc4)CS[C@@H]23)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.61
▸ MAPT P10636 6/20 0.61
▸ ABCC4 O15439 2/20 0.61
▸ CNR1 P21554 1/20 0.61
▸ CTDSP1 Q9GZU7 1/20 0.61
▸ APEX1 P27695 4/20 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
▸ PSMD14 O00487 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ NR1I2 O75469 6/20 0.49
▸ PGR P06401 3/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ HTR2C P28335 1/20 0.48
▸ PPARG P37231 2/20 0.46

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
SCHEMBL7763070 0.90 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9097116 0.89 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9097133 0.89 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9173100 0.87 TDP1 (0.78) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9101447 0.86 TDP1 (0.65) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9101416 0.86 TDP1 (0.65) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7765603 0.85 TDP1 (0.59) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7763045 0.85 MAPT (0.62) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9097338 0.85 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10354146 0.83 NR1I2 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408034-B1 3-Substituted vinyl cephalosporin derivatives EISAI CO LTD (JP) 1996-05-01 — — EP claimed
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