SCHEMBL27730583

SCHEMBL27730583

COc1c(F)ccc(C(F)n2nc3c(C(F)(F)F)cccc3c2-c2ccccc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.47
NR1H3 Q13133 13/20 0.47
NR1I2 O75469 2/20 0.43
NR3C1 P04150 2/20 0.43
AR P10275 1/20 0.37
RXRA P19793 1/20 0.37
HSD11B1 P28845 2/20 0.33
ESR1 P03372 2/20 0.33
PTGS2 P35354 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL1407884 0.70 ROCK2 (0.44) NR1H2NR1H3NR1I2NR3C1
SCHEMBL5246499 0.69 NR1H2 (0.35) NR1H2NR1H3NR1I2NR3C1
SCHEMBL4030919 0.69 NR1H2 (0.46) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL5348609 0.68 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL5283390 0.68 SOS1 (0.43) NR1H2NR1H3NR1I2NR3C1HSD11B1
SCHEMBL5247686 0.66 NR1H2 (0.61) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407219 0.65 NR1H3 (1.00) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407613 0.65 NR1H2 (0.72) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407211 0.65 NR1H2 (0.90) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407161 0.65 NR1H2 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101213194-A Indazoles useful in treating cardiovascular diseases WYETH CORP (US) 2008-07-02 CN claimed
CN-101213194-A Indazoles useful in treating cardiovascular diseases WYETH CORP (US) 2008-07-02 CN disclosed