SCHEMBL4174645

SCHEMBL4174645

CCCc1cc2cccc(C(F)(F)F)c2nc1-c1cccc(-c2ccccc2)c1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.44
NR1H3 Q13133 12/20 0.44
PTPN1 P18031 1/20 0.41
PIK3CD O00329 1/20 0.38
PPARG P37231 1/20 0.38
CTSK P43235 1/20 0.35
MEN1 O00255 1/20 0.34
S1PR4 O95977 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
S1PR1 P21453 1/20 0.34
SDHB P21912 1/20 0.34
MAPK1 P28482 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4167348 0.86 NR1H2 (0.41) NR1H2NR1H3PTPN1MEN1S1PR4
SCHEMBL27786940 0.84 NR1H2 (0.42) NR1H2NR1H3PIK3CDMEN1S1PR4
SCHEMBL4174648 0.83 NR1H2 (0.46) NR1H2NR1H3PTPN1MEN1POLB
SCHEMBL4160610 0.80 NR1H2 (0.40) NR1H2NR1H3PPARGLMNAHPGD
SCHEMBL4165443 0.78 NR1H2 (0.44) NR1H2NR1H3PTPN1PIK3CDESR1
SCHEMBL4156275 0.78 PTGS2 (0.39) NR1H2NR1H3PTPN1MEN1S1PR4
SCHEMBL4174099 0.76 PTGS2 (0.41) NR1H2NR1H3MEN1S1PR4LMNA
SCHEMBL4165744 0.74 PARP1 (0.44) NR1H2NR1H3PPARGLMNAHPGD
SCHEMBL27796472 0.73 DPP4 (0.41) NR1H2NR1H3MEN1S1PR4LMNA
SCHEMBL4167355 0.72 NR1H2 (0.44) NR1H2NR1H3PTPN1MEN1POLB

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