SCHEMBL3998963

SCHEMBL3998963

COc1ccc(-c2ccc(COc3ccccc3-c3cccc(-n4ncc(C(=O)O)c4C(F)(F)F)n3)c(OC)c2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.45
GUCY1A1 Q02108 12/20 0.43
GUCY1B1 Q02153 12/20 0.43
DGAT2 Q96PD7 1/20 0.41
CRHBP P24387 1/20 0.40
MC4R P32245 1/20 0.40
CRHR2 Q13324 1/20 0.40
EIF4E P06730 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
SCHEMBL14952935 0.94 KEAP1 (0.47) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL3998217 0.92 KEAP1 (0.49) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL4000225 0.91 KEAP1 (0.52) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL4000347 0.89 KEAP1 (0.48) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL3998110 0.89 KEAP1 (0.47) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL4003529 0.88 KEAP1 (0.49) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL4003304 0.88 KEAP1 (0.51) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL3994315 0.87 KEAP1 (0.51) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL3998965 0.87 KEAP1 (0.50) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL3995326 0.87 KEAP1 (0.48) KEAP1NFE2L2MEN1KMT2ANPC1

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 3 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
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