SCHEMBL4167348

SCHEMBL4167348

CS(=O)(=O)c1c(-c2ccccc2)cccc1-c1nc2c(C(F)(F)F)cccc2cc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.41
PTGS2 P35354 1/20 0.41
ATM Q13315 1/20 0.40
NR1H3 Q13133 10/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
S1PR4 O95977 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
SDHB P21912 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL27786940 0.91 NR1H2 (0.42) NR1H2ATMNR1H3LMNANPSR1
SCHEMBL4160610 0.87 NR1H2 (0.40) NR1H2NR1H3LMNANPSR1HPGD
SCHEMBL4156275 0.86 PTGS2 (0.39) NR1H2PTGS2NR1H3LMNANPSR1
SCHEMBL4174645 0.86 NR1H2 (0.44) NR1H2NR1H3LMNANPSR1MEN1
SCHEMBL4167355 0.83 NR1H2 (0.44) NR1H2PTGS2NR1H3MEN1POLB
SCHEMBL4174099 0.82 PTGS2 (0.41) NR1H2PTGS2NR1H3LMNANPSR1
SCHEMBL4165443 0.80 NR1H2 (0.44) NR1H2ATMNR1H3ESR1PTPN1
SCHEMBL27796472 0.79 DPP4 (0.41) NR1H2NR1H3LMNANPSR1MEN1
SCHEMBL4158189 0.77 PARP1 (0.43) NR1H2NR1H3PTPN1SCN9A
SCHEMBL4167820 0.76 AR (0.38) NR1H2NR1H3SCN9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN claimed
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed