SCHEMBL5816488

SCHEMBL5816488

CC[S+]([O-])c1cc(-c2csc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)c2)cc(C(F)(F)F)c1.N#Cc1c(C(F)(F)F)cc(-c2cc(-c3cc([S+]([O-])CC4CC4)cc(C(F)(F)F)c3)cs2)n(Cc2ccc(F)cc2F)c1=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
TNKS O95271 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31

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
SCHEMBL2387462 0.97 RXRA (0.48) RXRANR1H2NR1H3TNKSTNKS2
SCHEMBL2386965 0.95 RXRA (0.52) RXRANR1H2NR1H3
SCHEMBL2390406 0.90 RXRA (0.51) RXRANR1H2NR1H3
SCHEMBL2386482 0.89 RXRA (0.50) RXRANR1H2NR1H3
SCHEMBL2386341 0.88 RXRA (0.58) RXRANR1H2NR1H3TNKSTNKS2
SCHEMBL2387524 0.88 RXRA (0.57) RXRANR1H2NR1H3TNKSTNKS2
SCHEMBL2389329 0.86 RXRA (0.52) RXRANR1H2NR1H3
SCHEMBL2386410 0.86 RXRA (0.53) RXRANR1H2NR1H3TNKSTNKS2
SCHEMBL2390404 0.86 RXRA (0.51) RXRANR1H2NR1H3
SCHEMBL2387198 0.85 RXRA (0.63) RXRANR1H2NR1H3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed