SCHEMBL7943253

SCHEMBL7943253

CCOC(=O)c1cnn(-c2ccnc(-c3ccccc3O)n2)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 4/20 0.55
GUCY1B1 Q02153 4/20 0.55
HPGD P15428 9/20 0.54
KDM4E B2RXH2 8/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 7/20 0.53
MAPT P10636 5/20 0.52
GAA P10253 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
TRPC1 P48995 2/20 0.45
TRPC3 Q13507 2/20 0.45

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
SCHEMBL1784209 0.85 GUCY1A1 (0.73) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL1782731 0.83 HPGD (0.60) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL1780944 0.81 GUCY1A1 (0.54) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL30147756 0.80 HPGD (0.69) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL1335150 0.80 HPGD (0.69) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL3038219 0.79 GUCY1A1 (0.64) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL1198850 0.78 KDM4E (0.84) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL20646134 0.78 GUCY1A1 (0.67) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL1779617 0.77 GUCY1A1 (0.68) GUCY1A1GUCY1B1HPGDKDM4EL3MBTL1
SCHEMBL1781519 0.77 GUCY1A1 (0.66) 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-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed