SCHEMBL4156280

SCHEMBL4156280

CS(=O)(=O)c1ccccc1-c1cccc(-c2cc3cccc(C(F)(F)F)c3nc2N)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.45
NR1H3 Q13133 10/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PTPN1 P18031 1/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
POLB P06746 1/20 0.40
SCN9A Q15858 2/20 0.40
RXRA P19793 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4167355 0.85 NR1H2 (0.44) NR1H2NR1H3KMT2AMEN1PTPN1
SCHEMBL27786939 0.83 NR1H2 (0.46) NR1H2NR1H3KMT2AMEN1PTPN1
SCHEMBL4174108 0.83 NR1H3 (0.46) NR1H2NR1H3KMT2AMEN1ALOX5AP
SCHEMBL4156275 0.82 PTGS2 (0.39) NR1H2NR1H3KMT2AMEN1PTPN1
SCHEMBL4160616 0.80 NR1H2 (0.42) NR1H2NR1H3KMT2AMEN1POLB
SCHEMBL4174648 0.79 NR1H2 (0.46) NR1H2NR1H3KMT2AMEN1PTPN1
SCHEMBL2359274 0.76 NR1H2 (0.51) NR1H2NR1H3KMT2AMEN1PTPN1
SCHEMBL2716965 0.76 PIK3CD (0.50) KMT2AMEN1ALOX5APFEN1POLB
SCHEMBL27796471 0.75 NR1H2 (0.48) NR1H2NR1H3KMT2AMEN1PTPN1
SCHEMBL3831877 0.74 ALOX5AP (0.48) NR1H2NR1H3KMT2AMEN1PTPN1

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