SCHEMBL8021406

SCHEMBL8021406

N#Cc1ccc(-c2ccc(CO)c(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.54
MMP3 P08254 1/20 0.46
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP19A1 P11511 1/20 0.39
PDK2 Q15119 1/20 0.38
PTPN5 P54829 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MMP2 P08253 1/20 0.37
PTGS1 P23219 1/20 0.37
PGR P06401 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL1162443 0.85 FFAR1 (0.45) KIF11CYP19A1PGR
SCHEMBL29518342 0.85 FFAR1 (0.45) KIF11CYP19A1PGR
SCHEMBL8026801 0.80 KIF11 (0.44) KIF11CYP11B1CYP11B2PTGS1
SCHEMBL3997043 0.79 MMP3 (0.46) KIF11MMP3CYP11B2HRH3
SCHEMBL397141 0.78 KIF11 (0.61) KIF11MMP3CYP11B1CYP11B2PDK2
SCHEMBL29064768 0.78 KIF11 (0.43) KIF11CYP11B1CYP11B2
SCHEMBL2786052 0.77 KIF11 (0.59) KIF11MMP3CYP11B1CYP11B2CYP19A1
SCHEMBL9063141 0.77 KIF11 (0.59) KIF11MMP3CYP11B1CYP11B2CYP19A1
SCHEMBL30738909 0.76 KIF11 (0.48) KIF11MMP3CYP11B1CYP11B2HRH3
SCHEMBL14525324 0.76 KIF11 (0.46) KIF11MMP3CYP11B1CYP11B2CYP19A1

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-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed