SCHEMBL7339823

SCHEMBL7339823

N=C(N)c1ccc2cc(CS(=O)(=O)OC(=O)c3ccc(CNC(=O)OCc4ccccc4)cc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 7/20 0.52
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ TPSAB1 Q15661 1/20 0.42
▸ TPSD1 Q9BZJ3 1/20 0.42
▸ TPSG1 Q9NRR2 1/20 0.42
▸ TMPRSS11D O60235 1/20 0.42
▸ F2 P00734 6/20 0.42
▸ F10 P00742 3/20 0.42
▸ PLG P00747 3/20 0.42
▸ PLAT P00750 3/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ KLK8 O60259 2/20 0.41
▸ KLK4 Q9Y5K2 2/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ KLK2 P20151 1/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ TMPRSS6 Q8IU80 2/20 0.41

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
SCHEMBL10858363 0.88 PLAU (0.48) PLAUHDAC1HDAC2HDAC3TMPRSS11D
SCHEMBL10922460 0.86 PLAU (0.54) PLAUF2F10PLGPLAT
SCHEMBL7343617 0.85 PLAU (0.50) PLAUF2F10ITGB3ITGA2B
SCHEMBL7345716 0.84 PLAU (0.53) PLAUHDAC1HDAC2HDAC3TPSAB1
SCHEMBL7339820 0.84 FTO (0.56) PLAUHDAC1HDAC2HDAC3TPSAB1
SCHEMBL10936099 0.80 PLAU (0.47) PLAUHDAC1HDAC2HDAC3TPSAB1
SCHEMBL27816977 0.78 PLAU (0.55) PLAUF2F10PLGPLAT
SCHEMBL7339710 0.78 PLAU (0.60) PLAUF2F10PLGPLAT
SCHEMBL7324617 0.77 ALDH1A1 (0.49) PLAUHDAC1HDAC2HDAC3F2
SCHEMBL7347944 0.76 PLAU (0.44) PLAUF2F10PLGPLAT

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
EP-0048433-B1 NOVEL AMIDINE COMPOUNDS, PROCESS FOR PRODUCING SAME AND ANTI-COMPLEMENT AGENT COMPRISING THEM TORII & CO., LTD. (JP) 1986-05-28 — — EP disclosed
US-4532255-A Amidine compounds and anticomplement agent comprising same TORII & CO., LTD. (JP) 1985-07-30 — — US disclosed
US-4454338-A 6-AMIDINO-2-NATHTHYL-4-GUANIDINOBENZOATE TORII & CO., LTD. (JP) 1984-06-12 — — US disclosed
EP-0048433-A2 Novel amidine compounds, process for producing same and anti-complement agent comprising them TORII & CO., LTD. (JP) 1982-03-31 — — EP disclosed
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