SCHEMBL4018305

SCHEMBL4018305

Cc1cc(-c2cccc(OS(=O)(=O)C(F)(F)F)c2)c2cccc(Cl)c2n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.45
NR1H3 Q13133 10/20 0.45
NR4A2 P43354 4/20 0.43
RXRA P19793 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
DHODH Q02127 1/20 0.37
PARP1 P09874 1/20 0.34
RORC P51449 1/20 0.34
CRHR1 P34998 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
SCHEMBL4014828 0.79 NR1H2 (0.72) NR1H2NR1H3RXRA
SCHEMBL4010841 0.78 RORC (0.40) NR1H2NR1H3RXRARORC
SCHEMBL28046875 0.78 NR4A2 (0.59) NR4A2ADORA1DHODHPARP1CRHR1
SCHEMBL4012891 0.78 NR1H2 (0.58) NR1H2NR1H3RXRA
SCHEMBL4017985 0.77 NR1H3 (0.57) NR1H2NR1H3NR4A2RXRA
SCHEMBL4013872 0.77 NR1H2 (0.59) NR1H2NR1H3RXRA
SCHEMBL4011035 0.75 NR1H2 (0.50) NR1H2NR1H3RXRA
SCHEMBL4013817 0.73 NR4A2 (0.54) NR4A2DHODHPARP1CRHR1
SCHEMBL4014835 0.72 NR1H2 (0.39) NR1H2NR1H3RXRARORC
SCHEMBL4684800 0.72 PTPN1 (0.47) ADORA2AADORA1

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