SCHEMBL9431027

SCHEMBL9431027

NC(=O)c1cc2c(I)cccc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.73
F9 P00740 1/20 0.73
F10 P00742 1/20 0.73
SLC9A1 P19634 8/20 0.62
ICAM1 P05362 3/20 0.54
SELE P16581 3/20 0.54
VCAM1 P19320 2/20 0.54
DYRK1A Q13627 4/20 0.47
DYRK1B Q9Y463 2/20 0.47
PLK4 O00444 2/20 0.47
CHEK1 O14757 2/20 0.47
AURKA O14965 2/20 0.47
DAPK3 O43293 2/20 0.47
CHEK2 O96017 2/20 0.47
CDK1 P06493 2/20 0.47
PIM1 P11309 2/20 0.47
FGFR1 P11362 2/20 0.47
PRKACA P17612 2/20 0.47
FLT1 P17948 2/20 0.47
FGFR3 P22607 2/20 0.47

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
SCHEMBL8440564 0.86 PLAU (0.63) PLAUF9F10SLC9A1ICAM1
SCHEMBL4312886 0.84 F9 (1.00) PLAUF9F10SLC9A1
SCHEMBL4853915 0.84 PLAU (0.61) PLAUF9F10SLC9A1ICAM1
Hydrochloric Acid SCHEMBL9431849 0.83 PLAU (1.00) PLAUF9F10SLC9A1
SCHEMBL31117854 0.81 SLC9A1 (0.70) PLAUF9F10SLC9A1ICAM1
SCHEMBL5555882 0.81 SLC9A1 (0.70) PLAUF9F10SLC9A1ICAM1
SCHEMBL829725 0.80 SLC9A1 (0.56) PLAUF9F10SLC9A1ICAM1
SCHEMBL31117871 0.78 SLC9A1 (0.56) PLAUF9F10SLC9A1ICAM1
SCHEMBL12330453 0.78 PLAU (0.54) PLAUF9F10SLC9A1DYRK1A
SCHEMBL22364128 0.77 SLC9A1 (0.72) PLAUF9F10SLC9A1ICAM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 EP disclosed
EP-2363399-A1 Labelled analogues of halobenzamides as radiopharmaceuticals INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-09-07 EP disclosed
WO-2008012782-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-31 WO disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed