SCHEMBL5463603

SCHEMBL5463603

CC(C(=O)O)c1ccccc1Oc1cccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(Cl)cc2F)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.59
NR1H3 Q13133 15/20 0.59
NR1I2 O75469 2/20 0.48
NR3C1 P04150 2/20 0.48
AR P10275 1/20 0.48
RXRA P19793 1/20 0.48
SLC16A3 O15427 3/20 0.37
SLC16A1 P53985 3/20 0.37
MCTS1 Q9ULC4 1/20 0.37
MME P08473 1/20 0.35

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
SCHEMBL1407649 0.87 NR1H2 (0.70) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408353 0.85 NR1H2 (0.66) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407612 0.85 NR1H3 (0.61) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407505 0.84 NR1H2 (0.64) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407860 0.83 NR1H2 (0.75) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407733 0.83 NR1H2 (0.58) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407865 0.82 NR1H2 (0.63) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408275 0.81 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL5954640 0.81 NR1H2 (0.76) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407211 0.81 NR1H2 (0.90) 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
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP disclosed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO disclosed