SCHEMBL27730696

SCHEMBL27730696

CC(C(=O)O)C(C)c1cccc(Nc2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.60
NR1H3 Q13133 17/20 0.60
NR1I2 O75469 2/20 0.42
NR3C1 P04150 2/20 0.42
AR P10275 1/20 0.42
RXRA P19793 1/20 0.42
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
ESR1 P03372 1/20 0.39
PTGER4 P35408 1/20 0.38

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
SCHEMBL27710169 0.94 NR1H2 (0.59) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407227 0.91 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408283 0.89 NR1H2 (0.59) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407379 0.88 NR1H2 (0.58) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407921 0.87 NR1H2 (0.56) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407442 0.86 NR1H2 (0.77) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL27710198 0.86 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL27730694 0.86 NR1H2 (0.57) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408029 0.85 NR1H2 (0.61) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407889 0.85 NR1H2 (0.66) 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