SCHEMBL10878475

SCHEMBL10878475

Nc1nc(C(=NCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=C(Cl)CS[C@@H]23)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.62
▸ MAPT P10636 4/20 0.62
▸ ABCC4 O15439 3/20 0.62
▸ CNR1 P21554 1/20 0.62
▸ CTDSP1 Q9GZU7 1/20 0.62
▸ APEX1 P27695 3/20 0.62
▸ APAF1 O14727 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ TSHR P16473 1/20 0.62
▸ PLCG1 P19174 1/20 0.62
▸ ABCC2 Q92887 1/20 0.62
▸ SIRT5 Q9NXA8 1/20 0.62
▸ NR1I2 O75469 5/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ PSMD14 O00487 1/20 0.61
▸ MMP2 P08253 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
SCHEMBL10878462 1.00 TDP1 (0.62) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10419420 0.90 TDP1 (0.77) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10419423 0.90 TDP1 (0.77) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10876819 0.88 TDP1 (0.79) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10876808 0.88 TDP1 (0.79) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10418936 0.87 TDP1 (0.69) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10418935 0.87 TDP1 (0.69) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10535346 0.86 NR1I2 (0.78) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10418633 0.86 NR1I2 (0.78) TDP1MAPTABCC4CNR1CTDSP1
SCHEMBL10418637 0.86 NR1I2 (0.78) 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-0048915-B1 NEW CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 — — EP disclosed
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