SCHEMBL3998243

SCHEMBL3998243

Cc1ccc(OCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C)c(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 3/20 0.49
GUCY1A1 Q02108 15/20 0.45
GUCY1B1 Q02153 15/20 0.45
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
GUCY1B2 O75343 2/20 0.38
GUCY1A2 P33402 2/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL31126480 0.93 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL29379966 0.93 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL2318600 0.93 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3997641 0.90 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL4004694 0.90 KEAP1 (0.46) KEAP1NFE2L2GUCY1A1GUCY1B1GUCY1B2
SCHEMBL4000159 0.89 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3997155 0.88 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL4003241 0.87 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3996644 0.87 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3999091 0.87 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1

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