SCHEMBL4019153

SCHEMBL4019153

Cc1cc(-c2cc(O)ccc2F)c2cccc(Cl)c2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.50
CRHR1 P34998 4/20 0.42
CD38 P28907 4/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
BDKRB2 P30411 3/20 0.38
PDE7A Q13946 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.37
SRC P12931 1/20 0.36

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
SCHEMBL4017818 0.88 NR4A2 (0.54) NR4A2CRHR1MAPTGAABDKRB2
SCHEMBL4012780 0.83 CD38 (0.41) CD38MAPTGAAL3MBTL1CYP3A4
SCHEMBL4015330 0.82 NR4A2 (0.48) NR4A2CRHR1
SCHEMBL4013817 0.80 NR4A2 (0.54) NR4A2CRHR1MAPTGAABDKRB2
SCHEMBL4012143 0.77 ESR1 (0.40) NR4A2CRHR1CD38MAPTGAA
SCHEMBL1026984 0.74 NR4A2 (0.65) NR4A2CRHR1CD38MAPTL3MBTL1
SCHEMBL4013824 0.73 NR1H2 (0.56)
SCHEMBL28046875 0.73 NR4A2 (0.59) NR4A2CRHR1MAPTL3MBTL1PARP1
SCHEMBL4014463 0.72 NR1H2 (0.43) BDKRB2
SCHEMBL2449160 0.72 AURKA (0.37) NR4A2MAPTPARP1

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-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed