SCHEMBL7604953

SCHEMBL7604953

N=C(N)c1ccc(CCOc2cccc(OS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 8/20 0.77
▸ PRSS1 P07477 6/20 0.48
▸ PLG P00747 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ C1S P09871 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ F10 P00742 1/20 0.45
▸ CACNA1B Q00975 2/20 0.45

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
SCHEMBL5866196 0.88 F2 (0.83) F2PRSS2F10CACNA1B
Hydrochloric Acid SCHEMBL5866080 0.87 F2 (0.81) F2PRSS2F10CACNA1B
SCHEMBL5866240 0.81 TMPRSS6 (0.57) F2PRSS1PLGPRSS2PRSS3
Hydrochloric Acid SCHEMBL5866104 0.81 TMPRSS6 (0.58) F2PRSS1PLGPRSS2PRSS3
SCHEMBL5866155 0.79 F2 (0.52) F2PRSS1PLGPRSS2C1S
SCHEMBL5866105 0.79 KEAP1 (0.52) F2ITGB3ITGA2BF10
Hydrochloric Acid SCHEMBL5866183 0.79 KEAP1 (0.52) F2ITGB3ITGA2BF10
SCHEMBL5866283 0.76 SIRT2 (0.50) F2PRSS1PLGPRSS2C1S
Hydrochloric Acid SCHEMBL5866202 0.75 SIRT2 (0.49) F2PRSS1PLGPRSS2C1S
SCHEMBL5866387 0.75 MCL1 (0.56) F2PRSS1PRSS2PRSS3ITGB3

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-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 — — EP claimed
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