SCHEMBL7763070

SCHEMBL7763070

Nc1nc(C(=NO)C(=O)NC2C(=O)N3C(OC(=O)O)=C(C=Cc4cncs4)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
SCHEMBL10354013 0.92 NR1I2 (0.60) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9286953 0.90 TDP1 (0.61) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7764651 0.89 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7763067 0.89 TDP1 (0.76) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7767597 0.88 TDP1 (0.75) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7767294 0.88 TDP1 (0.46) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL9173100 0.87 TDP1 (0.78) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7763045 0.86 MAPT (0.62) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7765603 0.86 TDP1 (0.59) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL7767601 0.86 TDP1 (0.65) 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-0723965-B1 NOVEL CEPHALOSPORIN DERIVATIVES MEIJI SEIKA KAISHA (JP) 2001-05-30 — — EP claimed
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