SCHEMBL4004433

SCHEMBL4004433

Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1COc1ccccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
GUCY1A1 Q02108 9/20 0.42
GUCY1B1 Q02153 9/20 0.42
RAB9A P51151 2/20 0.40
LIPE Q05469 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.40
PPARG P37231 1/20 0.39
SCN9A Q15858 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL3998895 0.94 KEAP1 (0.45) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL4001034 0.90 SMN1; SMN2 (0.48) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL3998293 0.88 KEAP1 (0.46) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL14952935 0.85 KEAP1 (0.47) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL4004083 0.84 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL16555718 0.84 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL3996759 0.84 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL14952921 0.84 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL4003529 0.84 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL3996874 0.84 KEAP1 (0.47) 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