SCHEMBL4003958

SCHEMBL4003958

COc1ccc(-c2ccc(COc3ccc(F)cc3-c3cccc(-n4ncc(C(=O)O)c4C(F)(F)F)n3)c(C)c2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.43
GUCY1A1 Q02108 12/20 0.42
GUCY1B1 Q02153 12/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
DGAT2 Q96PD7 1/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 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
SCHEMBL4003529 0.94 KEAP1 (0.49) KEAP1NFE2L2RAB9AMEN1KMT2A
SCHEMBL3996644 0.94 KEAP1 (0.49) KEAP1NFE2L2RAB9AMEN1KMT2A
SCHEMBL3997024 0.93 GUCY1A1 (0.51) KEAP1NFE2L2MEN1KMT2AGUCY1A1
SCHEMBL14952864 0.92 KEAP1 (0.48) KEAP1NFE2L2RAB9AMEN1KMT2A
SCHEMBL3999127 0.90 KEAP1 (0.49) KEAP1NFE2L2RAB9AMEN1KMT2A
SCHEMBL3997155 0.90 KEAP1 (0.50) KEAP1NFE2L2RAB9AMEN1KMT2A
SCHEMBL3998217 0.90 KEAP1 (0.49) KEAP1NFE2L2RAB9AMEN1KMT2A
SCHEMBL4000347 0.89 KEAP1 (0.48) KEAP1NFE2L2RAB9AMEN1KMT2A
SCHEMBL3995326 0.88 KEAP1 (0.48) KEAP1NFE2L2RAB9AMEN1KMT2A
SCHEMBL3998296 0.88 KEAP1 (0.48) KEAP1NFE2L2RAB9AMEN1KMT2A

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 6 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
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