SCHEMBL4160616

SCHEMBL4160616

CS(=O)(=O)c1ccccc1-c1cccc(-c2nc3c(C(F)(F)F)cccc3cc2C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.42
NR1H3 Q13133 7/20 0.42
AR P10275 4/20 0.41
PIK3CD O00329 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC22A12 Q96S37 3/20 0.38
PGR P06401 1/20 0.37
POLB P06746 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL4167830 0.89 AR (0.40) NR1H2NR1H3ARSLC22A12PGR
SCHEMBL27786939 0.85 NR1H2 (0.46) NR1H2NR1H3MEN1KMT2APOLB
SCHEMBL4167355 0.85 NR1H2 (0.44) NR1H2NR1H3MEN1KMT2APOLB
SCHEMBL4160610 0.82 NR1H2 (0.40) NR1H2NR1H3ARKMT2APGR
SCHEMBL4174648 0.81 NR1H2 (0.46) NR1H2NR1H3MEN1KMT2APOLB
SCHEMBL4156280 0.80 NR1H2 (0.45) NR1H2NR1H3MEN1KMT2APOLB
SCHEMBL4174108 0.78 NR1H3 (0.46) NR1H2NR1H3MEN1KMT2APOLB
SCHEMBL4167820 0.76 AR (0.38) NR1H2NR1H3ARPGRSCN9A
SCHEMBL4165449 0.75 NR1H2 (0.44) NR1H2NR1H3PIK3CDSCN9A
SCHEMBL27796471 0.75 NR1H2 (0.48) NR1H2NR1H3MEN1KMT2APOLB

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