SCHEMBL3989045

SCHEMBL3989045

COc1ccc(CN2Cc3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)cc1N1CCOCC1=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.47
F2 P00734 1/20 0.42
ABCB1 P08183 1/20 0.41
MAPT P10636 1/20 0.41
ABCG2 Q9UNQ0 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
SCHEMBL8232904 0.92 F10 (0.41) F10F2ABCB1MAPTABCG2
SCHEMBL3986333 0.87 F10 (0.58) F10F2
SCHEMBL8230535 0.86 F10 (0.52) F10F2
SCHEMBL3987347 0.84 F10 (0.47) F10MAPT
SCHEMBL8232688 0.81 F10 (0.47) F10F2ABCB1MAPTABCG2
SCHEMBL3985616 0.77 F10 (0.61) F10F2
SCHEMBL8224810 0.77 F10 (0.43) F10F2
SCHEMBL3382279 0.77 F10 (0.49) F10
SCHEMBL8230473 0.77 F10 (0.47) F10MAPT
SCHEMBL8230002 0.76 F10 (0.41) F10MAPT

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-2029582-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
WO-2007137790-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed