SCHEMBL4013245

SCHEMBL4013245

CCCNS(=O)(=O)c1cccc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.74
NR1H3 Q13133 14/20 0.74
RXRA P19793 1/20 0.56
PPARG P37231 1/20 0.45
CKS1B P61024 2/20 0.44
SKP2 Q13309 2/20 0.44
BRD4 O60885 2/20 0.43
AURKA O14965 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
PRKX P51817 1/20 0.42
PRKG1 Q13976 1/20 0.42
MAPKAPK5 Q8IW41 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL4013299 0.92 NR1H2 (0.77) NR1H2NR1H3RXRAPPARGCKS1B
SCHEMBL4018359 0.87 NR1H2 (0.86) NR1H2NR1H3RXRAPPARG
SCHEMBL4014617 0.86 NR1H2 (0.78) NR1H2NR1H3RXRAPPARGCKS1B
SCHEMBL4010294 0.85 NR1H2 (1.00) NR1H2NR1H3RXRAPPARGBRD4
SCHEMBL4009753 0.84 NR1H2 (0.73) NR1H2NR1H3RXRAPPARGCKS1B
SCHEMBL4012168 0.83 NR1H2 (1.00) NR1H2NR1H3RXRA
SCHEMBL4013268 0.82 NR1H2 (0.81) NR1H2NR1H3RXRAPPARGSYK
SCHEMBL4018292 0.81 NR1H2 (0.75) NR1H2NR1H3RXRAPPARG
SCHEMBL4013652 0.81 NR1H2 (0.95) NR1H2NR1H3RXRA
SCHEMBL4009696 0.80 NR1H2 (0.74) NR1H2NR1H3RXRAPPARGAURKA

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 claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed