SCHEMBL3998293

SCHEMBL3998293

Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1COc1ccccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
GUCY1A1 Q02108 15/20 0.44
GUCY1B1 Q02153 15/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.39
MC4R P32245 1/20 0.39
CRHR2 Q13324 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3996498 0.93 KEAP1 (0.45) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL4004083 0.89 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL14952921 0.89 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL4000524 0.89 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL4004433 0.88 KEAP1 (0.45) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3996874 0.88 KEAP1 (0.47) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3997178 0.87 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL3995886 0.87 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL4000032 0.87 GUCY1A1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1MEN1
SCHEMBL3998303 0.86 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A

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