SCHEMBL6553127

SCHEMBL6553127

CNC(=N)c1cccc(COc2cc(C)cc(OS(=O)(=O)c3ccccc3Cl)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 20/20 0.79
▸ F10 P00742 4/20 0.79
▸ CTRC Q99895 6/20 0.56
▸ PRSS2 P07478 6/20 0.52

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
Hydrochloric Acid SCHEMBL6552994 0.99 F2 (0.78) F2F10CTRCPRSS2
Hydrochloric Acid SCHEMBL6552963 0.92 F2 (0.78) F2F10CTRCPRSS2
SCHEMBL6553012 0.89 F2 (1.00) F2F10CTRCPRSS2
Hydrochloric Acid SCHEMBL6553008 0.88 F2 (0.98) F2F10CTRCPRSS2
SCHEMBL7435413 0.82 F2 (0.74) F2F10CTRCPRSS2
SCHEMBL6553380 0.81 F2 (1.00) F2F10CTRCPRSS2
Hydrochloric Acid SCHEMBL6553373 0.80 F2 (0.98) F2F10CTRCPRSS2
SCHEMBL6553041 0.79 F2 (0.67) F2F10CTRCPRSS2
SCHEMBL6554419 0.78 F2 (0.81) F2F10CTRC
Hydrochloric Acid SCHEMBL6554415 0.77 F2 (0.80) F2F10CTRC

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-0883405-B1 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-02-25 — — EP claimed
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