SCHEMBL7344361

SCHEMBL7344361

N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)CCN(C(=O)OCc3ccccc3)C4)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 8/20 0.69
▸ PLAU P00749 9/20 0.60
▸ PLG P00747 4/20 0.54
▸ PLAT P00750 4/20 0.54
▸ KLKB1 P03952 4/20 0.54
▸ PRSS1 P07477 4/20 0.54
▸ F2 P00734 3/20 0.54
▸ ITGB3 P05106 1/20 0.54
▸ ITGA2B P08514 1/20 0.54
▸ TMEM97 Q5BJF2 2/20 0.52
▸ SIGMAR1 Q99720 2/20 0.52
▸ KLK1 P06870 1/20 0.51

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
Trifluoroacetic Acid SCHEMBL7341167 0.95 TMPRSS2 (0.63) TMPRSS2PLAUPLGPLATKLKB1
SCHEMBL7344372 0.86 TMPRSS2 (0.56) TMPRSS2PLAUTMEM97SIGMAR1
Trifluoroacetic Acid SCHEMBL7341178 0.82 TMPRSS2 (0.52) TMPRSS2PLAUTMEM97SIGMAR1
SCHEMBL6292442 0.81 TMEM97 (0.62) TMPRSS2TMEM97SIGMAR1
SCHEMBL7341174 0.79 PLAU (0.47) TMPRSS2PLAUPLGPLATKLKB1
SCHEMBL1082437 0.78 TMEM97 (0.64) TMEM97SIGMAR1
SCHEMBL23651925 0.77 TMPRSS2 (0.49) TMPRSS2TMEM97SIGMAR1
SCHEMBL6296029 0.77 TMEM97 (0.62) TMPRSS2TMEM97SIGMAR1
SCHEMBL31173403 0.77 TMEM97 (0.68) TMEM97SIGMAR1
SCHEMBL1027550 0.77 TMEM97 (0.67) TMEM97SIGMAR1

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
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 — — US disclosed
Send feedback