SCHEMBL4013299

SCHEMBL4013299

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

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.77
NR1H3 Q13133 13/20 0.77
RXRA P19793 1/20 0.58
BRD4 O60885 4/20 0.48
PPARG P37231 1/20 0.47
CKS1B P61024 2/20 0.46
SKP2 Q13309 2/20 0.46

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
SCHEMBL4013245 0.92 NR1H2 (0.74) NR1H2NR1H3RXRABRD4PPARG
SCHEMBL4014617 0.88 NR1H2 (0.78) NR1H2NR1H3RXRAPPARGCKS1B
SCHEMBL4010294 0.87 NR1H2 (1.00) NR1H2NR1H3RXRABRD4PPARG
SCHEMBL4018359 0.86 NR1H2 (0.86) NR1H2NR1H3RXRAPPARG
SCHEMBL4009753 0.85 NR1H2 (0.73) NR1H2NR1H3RXRAPPARGCKS1B
SCHEMBL4012168 0.85 NR1H2 (1.00) NR1H2NR1H3RXRA
SCHEMBL4013268 0.84 NR1H2 (0.81) NR1H2NR1H3RXRAPPARG
SCHEMBL4018292 0.82 NR1H2 (0.75) NR1H2NR1H3RXRAPPARG
SCHEMBL4013652 0.82 NR1H2 (0.95) NR1H2NR1H3RXRA
SCHEMBL4012992 0.82 NR1H2 (0.79) NR1H2NR1H3RXRAPPARG

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