SCHEMBL6647010

SCHEMBL6647010

CC(C)(C)c1ccncc1-c1nc(-c2ccccc2[N+](=O)[O-])cs1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 19/20 0.46
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6651612 0.82 C1S (0.54) EIF4E
SCHEMBL6649219 0.80 EIF4E (0.44) EIF4ENPC1L3MBTL1
SCHEMBL6647859 0.80 HSD17B10 (0.48) NPC1
SCHEMBL6644836 0.76 CYP19A1 (0.47) NPC1L3MBTL1
SCHEMBL1206979 0.75 EIF4E (0.65) EIF4ENPC1
SCHEMBL6367549 0.72 HDAC3 (0.49) EIF4E
SCHEMBL1208143 0.71 EIF4E (0.70) EIF4E
SCHEMBL6648869 0.71 EIF4E (0.55) EIF4ENPC1
SCHEMBL3026474 0.70 MGAM (0.55) EIF4ENPC1L3MBTL1
SCHEMBL220611 0.70 MGAM (0.55) EIF4ENPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed