SCHEMBL4005737

SCHEMBL4005737

Cc1ccc(OCc2ccc(-c3ccc(C#N)cc3)cc2)c(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 3/20 0.49
GUCY1A1 Q02108 12/20 0.45
GUCY1B1 Q02153 12/20 0.45
XDH P47989 2/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4004694 0.92 KEAP1 (0.46) KEAP1NFE2L2GUCY1A1GUCY1B1
SCHEMBL4001015 0.91 KEAP1 (0.47) KEAP1NFE2L2GUCY1A1GUCY1B1XDH
SCHEMBL3998252 0.90 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3996801 0.85 KEAP1 (0.46) KEAP1NFE2L2GUCY1A1GUCY1B1
SCHEMBL4005104 0.85 KEAP1 (0.46) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3994730 0.85 KEAP1 (0.45) KEAP1NFE2L2GUCY1A1GUCY1B1
SCHEMBL3998240 0.84 KEAP1 (0.46) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3998373 0.84 KEAP1 (0.47) KEAP1NFE2L2GUCY1A1GUCY1B1
SCHEMBL3996947 0.84 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3996991 0.84 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 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