SCHEMBL4000159

SCHEMBL4000159

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
GUCY1A1 Q02108 13/20 0.43
GUCY1B1 Q02153 13/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.39
DHODH Q02127 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CRHBP P24387 1/20 0.38
MC4R P32245 1/20 0.38
CRHR2 Q13324 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
SCHEMBL3997641 0.92 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL2318600 0.92 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL31126480 0.92 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3998243 0.89 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3999091 0.88 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL4004420 0.88 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3994826 0.87 GUCY1A1 (0.46) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3997217 0.87 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL4000162 0.87 KEAP1 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL14952936 0.86 KEAP1 (0.46) 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