SCHEMBL3997641

SCHEMBL3997641

Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1COc1cc(F)ccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
GUCY1A1 Q02108 12/20 0.43
GUCY1B1 Q02153 12/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL2318600 0.94 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL31126480 0.94 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL29379966 0.94 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL4000159 0.92 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL4003241 0.90 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3998243 0.90 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3997178 0.89 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3997155 0.89 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3996644 0.88 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL4004420 0.88 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP claimed
WO-2015095515-A1 SGC ACTIVATORS FOR THE TREATMENT OF GLAUCOMA NOVARTIS AG (CH) 2015-06-25 WO disclosed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed