SCHEMBL3994680

SCHEMBL3994680

CCOC(=O)c1cnn(-c2cccc(-c3ccc(Cl)c(Cl)c3)n2)c1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 6/20 0.63
GUCY1B1 Q02153 6/20 0.63
KDM4E B2RXH2 7/20 0.59
HPGD P15428 7/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
GAA P10253 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
TDP1 Q9NUW8 1/20 0.55
KEAP1 Q14145 2/20 0.54
NFE2L2 Q16236 2/20 0.54
CRHBP P24387 1/20 0.52
MC4R P32245 1/20 0.52
CRHR2 Q13324 1/20 0.52
TRPC1 P48995 2/20 0.51

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
SCHEMBL2364934 0.85 MEN1 (0.70) GUCY1A1GUCY1B1KDM4EALDH1A1MAPT
SCHEMBL1198425 0.84 KDM4E (0.78) KDM4EHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL18707080 0.84 KEAP1 (0.78) GUCY1A1GUCY1B1KDM4EHPGDL3MBTL1
SCHEMBL3037767 0.83 GUCY1A1 (0.68) GUCY1A1GUCY1B1KDM4EHPGDL3MBTL1
SCHEMBL4003597 0.83 GUCY1A1 (0.61) GUCY1A1GUCY1B1KDM4EHPGDL3MBTL1
SCHEMBL1782567 0.83 GUCY1A1 (0.62) GUCY1A1GUCY1B1KDM4EHPGDL3MBTL1
SCHEMBL18733849 0.83 GUCY1A1 (0.61) GUCY1A1GUCY1B1KDM4EHPGDL3MBTL1
SCHEMBL3041721 0.82 GUCY1A1 (0.62) GUCY1A1GUCY1B1KDM4EHPGDL3MBTL1
SCHEMBL1780792 0.82 GUCY1A1 (0.64) GUCY1A1GUCY1B1KDM4EHPGDL3MBTL1
SCHEMBL16556003 0.82 GUCY1A1 (0.66) GUCY1A1GUCY1B1KDM4EHPGDL3MBTL1

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
WO-2009068652-A1 2, 6-DISUBSTITUTED PYRIDINES AND 2, 4-DISUBSTITUTED PYRIMIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed
WO-2009068652-A1 2, 6-DISUBSTITUTED PYRIDINES AND 2, 4-DISUBSTITUTED PYRIMIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed