SCHEMBL3832809

SCHEMBL3832809

O=C(CCCCl)Cc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.46
ESR1 P03372 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
NR3C2 P08235 1/20 0.45
AR P10275 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
EGFR P00533 5/20 0.44
ERBB2 P04626 5/20 0.44
MAPK8 P45983 1/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
MAOB P27338 3/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL3008052 0.83 EGFR (0.48) GLSEGFRERBB2MAPK8SIGMAR1
SCHEMBL1448505 0.82 EGFR (0.53) GLSEGFRERBB2MAPK8MAOB
SCHEMBL5950139 0.81 EGFR (0.49) GLSEGFRERBB2MAPK8MAOB
SCHEMBL6225809 0.81 MAPK8 (0.43) MAPK8SIGMAR1
SCHEMBL6223832 0.81 VNN1 (0.50) GLSMAPK8MAOBPARP10SIGMAR1
SCHEMBL3893395 0.79 L3MBTL1 (0.51)
SCHEMBL7790183 0.79 EGFR (0.46) GLSEGFRERBB2FFAR1FFAR4
SCHEMBL12731510 0.78 EGFR (0.49) GLSEGFRERBB2MAPK8MAOB
SCHEMBL6226325 0.77 MEN1 (0.51) THRATHRBMAPK8FFAR1FFAR4
SCHEMBL16155630 0.76 TAAR1 (0.53) GLSEGFRERBB2MAPK8PARP15

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-2099760-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-16 EP disclosed
WO-2008068268-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed