SCHEMBL3998296

SCHEMBL3998296

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1COc1ccc(F)cc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
GUCY1A1 Q02108 12/20 0.44
GUCY1B1 Q02153 12/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3997155 0.96 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL14952921 0.93 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3996644 0.93 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3998938 0.92 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL4005104 0.92 KEAP1 (0.46) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3997178 0.91 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3997217 0.91 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL4139266 0.90 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3997417 0.89 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL4003958 0.88 KEAP1 (0.47) 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 5 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
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed