SCHEMBL4001015

SCHEMBL4001015

N#Cc1ccc(-c2ccc(COc3ccc(Cl)cc3-c3cccc(-n4ncc(C(=O)O)c4C(F)(F)F)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
PTGER1 P34995 5/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GUCY1A1 Q02108 8/20 0.42
GUCY1B1 Q02153 8/20 0.42
CRHBP P24387 1/20 0.40
MC4R P32245 1/20 0.40
CRHR2 Q13324 1/20 0.40
XDH P47989 1/20 0.40

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
SCHEMBL3996801 0.94 KEAP1 (0.46) KEAP1NFE2L2PTGER1MEN1KMT2A
SCHEMBL4005737 0.91 KEAP1 (0.49) KEAP1NFE2L2GUCY1A1GUCY1B1XDH
SCHEMBL3994730 0.90 KEAP1 (0.45) KEAP1NFE2L2PTGER1MEN1KMT2A
SCHEMBL3998252 0.90 KEAP1 (0.48) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL3997163 0.89 KEAP1 (0.51) KEAP1NFE2L2PTGER1MEN1KMT2A
SCHEMBL4000881 0.86 KEAP1 (0.50) KEAP1NFE2L2PTGER1MEN1KMT2A
SCHEMBL3998240 0.84 KEAP1 (0.46) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL3998373 0.84 KEAP1 (0.47) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL3996991 0.84 KEAP1 (0.47) KEAP1NFE2L2MEN1KMT2ARAB9A
SCHEMBL3996900 0.83 KEAP1 (0.45) KEAP1NFE2L2PTGER1RAB9AGUCY1A1

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