SCHEMBL196526

SCHEMBL196526

NC1(OC(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cn2)CC[S+]([O-])C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.33
FLT4 P35916 1/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
DDX3X O00571 3/20 0.32
MAPK1 P28482 1/20 0.32
PTK2 Q05397 1/20 0.32
KDM4E B2RXH2 2/20 0.32
AURKA O14965 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL2806336 0.85 P2RX7 (0.34) SIRT2FLT4L3MBTL1DDX3XKDM4E
SCHEMBL13128614 0.76 BDKRB1 (0.37) DDX3XKDM4EAURKAALDH1A1
SCHEMBL2811328 0.76 MEN1 (0.40) SIRT2DDX3XKDM4EAURKAALDH1A1
SCHEMBL185111 0.74 CNR2 (0.36) MAPK1AURKA
SCHEMBL2814182 0.74 SIRT2 (0.35) SIRT2FLT4L3MBTL1DDX3XPTK2
SCHEMBL2805177 0.73 P2RX7 (0.35) SIRT2FLT4L3MBTL1DDX3XKDM4E
SCHEMBL2811659 0.73 P2RX7 (0.40) FLT4LMNADDX3XAURKA
SCHEMBL13160220 0.73
SCHEMBL2782634 0.73 MEN1 (0.39) SIRT2FLT4DDX3XKDM4EAURKA
SCHEMBL2814184 0.72 P2RX7 (0.33) SIRT2FLT4PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed