SCHEMBL4693145

SCHEMBL4693145

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
KCNK3 O14649 2/20 0.41
RAB9A P51151 1/20 0.40
CCKBR P32239 2/20 0.40
DGAT1 O75907 1/20 0.38
MTOR P42345 2/20 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
PRMT5 O14744 2/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 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
SCHEMBL4505080 1.00 ALOX5AP (0.43) ALOX5APFEN1KCNK3RAB9ACCKBR
SCHEMBL4692962 1.00 ALOX5AP (0.43) ALOX5APFEN1KCNK3RAB9ACCKBR
SCHEMBL4692965 0.86 ALOX5AP (0.46) ALOX5APFEN1KCNK3RAB9ACCKBR
SCHEMBL4505084 0.86 ALOX5AP (0.46) ALOX5APFEN1KCNK3RAB9ACCKBR
SCHEMBL4693148 0.86 ALOX5AP (0.46) ALOX5APFEN1KCNK3RAB9ACCKBR
SCHEMBL4690393 0.85 CCKBR (0.50) ALOX5APFEN1KCNK3CCKBRMTOR
SCHEMBL4694983 0.85 ALOX5AP (0.43) ALOX5APFEN1KCNK3CCKBRMTOR
SCHEMBL4693804 0.85 ALOX5AP (0.43) ALOX5APFEN1KCNK3CCKBRMTOR
SCHEMBL4494740 0.85 CCKBR (0.50) ALOX5APFEN1KCNK3CCKBRMTOR
SCHEMBL4693858 0.85 CCKBR (0.50) 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