SCHEMBL4694983

SCHEMBL4694983

C[C@@H]1COCCN1C(=O)c1ccc(I)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
KCNK3 O14649 2/20 0.41
CCKBR P32239 2/20 0.40
MTOR P42345 3/20 0.38
PRMT5 O14744 3/20 0.38
GRIN2B Q13224 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
VNN1 O95497 2/20 0.36
IDH1 O75874 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CYP3A4 P08684 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35

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
SCHEMBL4693804 1.00 ALOX5AP (0.43) ALOX5APFEN1KCNK3CCKBRMTOR
SCHEMBL4510275 1.00 ALOX5AP (0.43) ALOX5APFEN1KCNK3CCKBRMTOR
SCHEMBL4693808 0.86 ALOX5AP (0.46) ALOX5APFEN1KCNK3CCKBRPRMT5
SCHEMBL4510279 0.86 ALOX5AP (0.46) ALOX5APFEN1KCNK3CCKBRPRMT5
SCHEMBL4694989 0.86 ALOX5AP (0.46) ALOX5APFEN1KCNK3CCKBRPRMT5
SCHEMBL4690393 0.85 CCKBR (0.50) ALOX5APFEN1KCNK3CCKBRMTOR
SCHEMBL4505080 0.85 ALOX5AP (0.43) ALOX5APFEN1KCNK3CCKBRMTOR
SCHEMBL4494740 0.85 CCKBR (0.50) ALOX5APFEN1KCNK3CCKBRMTOR
SCHEMBL4692962 0.85 ALOX5AP (0.43) ALOX5APFEN1KCNK3CCKBRMTOR
SCHEMBL4693145 0.85 ALOX5AP (0.43) ALOX5APFEN1KCNK3CCKBRMTOR

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-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed