SCHEMBL4000032

SCHEMBL4000032

CCOC(=O)c1cnn(-c2cccc(-c3cc(C)ccc3OCc3ccc(-c4ncc(C(F)(F)F)cc4Cl)cc3C)n2)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 7/20 0.51
GUCY1B1 Q02153 7/20 0.51
HPGD P15428 7/20 0.44
KDM4E B2RXH2 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL3996498 0.93 KEAP1 (0.45) GUCY1A1GUCY1B1MEN1KMT2AMRGPRX4
SCHEMBL3998293 0.87 KEAP1 (0.46) GUCY1A1GUCY1B1MEN1KMT2AMRGPRX4
SCHEMBL3994735 0.83 GUCY1A1 (0.52) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL3998343 0.81 GUCY1A1 (0.58) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL3998943 0.80 GUCY1B2 (0.43) GUCY1A1GUCY1B1MAPTGAACYP2C9
SCHEMBL3998243 0.80 KEAP1 (0.49) GUCY1A1GUCY1B1MEN1KMT2AKEAP1
SCHEMBL3997533 0.80 GUCY1A1 (0.56) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL1783451 0.80 GUCY1A1 (0.61) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL3997119 0.80 GUCY1A1 (0.56) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL3997024 0.79 GUCY1A1 (0.51) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1

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