SCHEMBL4003597

SCHEMBL4003597

CCOC(=O)c1cnn(-c2cccc(-c3c(O)cccc3Cl)n2)c1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 7/20 0.61
GUCY1B1 Q02153 7/20 0.61
KDM4E B2RXH2 6/20 0.53
HPGD P15428 6/20 0.53
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
POLB P06746 1/20 0.51
TRPC1 P48995 2/20 0.47
TRPC3 Q13507 2/20 0.47
STIM1 Q13586 2/20 0.47
ORAI1 Q96D31 2/20 0.47
STIM2 Q9P246 2/20 0.47

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
SCHEMBL3037767 0.87 GUCY1A1 (0.68) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL1784209 0.87 GUCY1A1 (0.73) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL1780792 0.84 GUCY1A1 (0.64) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL16556003 0.84 GUCY1A1 (0.66) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL3994680 0.83 GUCY1A1 (0.63) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL1782567 0.83 GUCY1A1 (0.62) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL3041721 0.82 GUCY1A1 (0.62) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL1781519 0.81 GUCY1A1 (0.66) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL4387891 0.81 GUCY1A1 (0.73) GUCY1A1GUCY1B1KDM4EHPGDMAPT
SCHEMBL3029390 0.81 GUCY1A1 (0.70) GUCY1A1GUCY1B1KDM4EHPGDMAPT

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