SCHEMBL5504066

SCHEMBL5504066

Cc1cc(NC(=O)C(C)(C)NC(=O)Oc2ccc(Br)s2)ccc1N1CCCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.46
AR P10275 1/20 0.36
CNR2 P34972 3/20 0.33
NPY2R P49146 1/20 0.32
KCNQ2 O43526 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.31
ABL1 P00519 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4470629 0.86 F10 (0.60) F10ARTP53MAPTMEN1
SCHEMBL5504077 0.85 F10 (0.42) F10ARNPY2RTP53MAPT
SCHEMBL5517405 0.85 F10 (0.40) F10ARCNR2NPY2RTP53
SCHEMBL5505635 0.84 F10 (0.45) F10ARNPY2RTP53MAPT
SCHEMBL4477341 0.84 F10 (0.59) F10ARTP53MAPTMEN1
SCHEMBL5506040 0.83 FAAH (0.44) F10
SCHEMBL5505524 0.82 F10 (0.40) F10ARNPY2RTP53MAPT
SCHEMBL5505095 0.79 F10 (0.45) F10ARCNR2NPY2RCNR1
SCHEMBL5503712 0.78 F10 (0.38) F10ARNPY2RTP53MAPT
SCHEMBL5507256 0.77 F10 (0.39) F10ARNPY2RTP53MAPT

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-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed