SCHEMBL4012072

SCHEMBL4012072

CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.75
NR1H3 Q13133 16/20 0.75
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL1124253 0.86 NR1H2 (0.68) NR1H2NR1H3USP2TP53MAPK1
SCHEMBL4020682 0.86 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL1124932 0.84 NR1H2 (0.68) NR1H2NR1H3USP2TP53MAPK1
SCHEMBL1124177 0.84 USP2 (0.57) NR1H2NR1H3USP2TP53MAPK1
SCHEMBL1124699 0.84 NR1H2 (0.67) NR1H2NR1H3USP2TP53MAPK1
SCHEMBL4012657 0.83 NR1H2 (0.84) NR1H2NR1H3
SCHEMBL4010815 0.78 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL4013226 0.78 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL4010991 0.77 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL4013328 0.76 NR1H2 (0.72) NR1H2NR1H3

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