SCHEMBL1407153

SCHEMBL1407153

O=CNc1ccccc1C#Cc1cccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2c(F)cc(F)cc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.45
NR1H3 Q13133 13/20 0.45
NR1I2 O75469 2/20 0.45
NR3C1 P04150 2/20 0.45
AR P10275 1/20 0.41
RXRA P19793 1/20 0.41
ALK Q9UM73 1/20 0.33
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 1/20 0.30

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
SCHEMBL1407370 0.89 NR1H2 (0.52) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407789 0.83 NR1H2 (0.53) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407119 0.83 NR1H2 (0.51) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407493 0.82 NR1H2 (0.50) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3862040 0.81 NR1H2 (0.44) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407577 0.81 NR1H2 (0.52) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1414709 0.81 NR1H2 (0.48) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407174 0.81 NR1H2 (0.48) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407702 0.81 NR1H2 (0.54) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407380 0.81 NR1H2 (0.54) NR1H2NR1H3NR1I2NR3C1AR

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
EP-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed