SCHEMBL4004399

SCHEMBL4004399

O=C(O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
GUCY1A1 Q02108 12/20 0.45
GUCY1B1 Q02153 12/20 0.45
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL3995334 0.93 KEAP1 (0.55) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL3998724 0.92 RAB9A (0.53) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL3998260 0.92 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL1781941 0.91 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL4000233 0.91 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL4000881 0.90 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL4002493 0.90 KEAP1 (0.54) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL17948318 0.89 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL1780474 0.89 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1RAB9A
SCHEMBL3994350 0.89 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