SCHEMBL4001089

SCHEMBL4001089

COc1ccc(-c2ccc(COc3ccccc3-c3cccc(-n4ncc(C(=O)O)c4C(F)(F)F)n3)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 3/20 0.50
KMT2A Q03164 3/20 0.50
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
ATM Q13315 1/20 0.50
GUCY1A1 Q02108 13/20 0.43
GUCY1B1 Q02153 13/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4000157 0.95 RAB9A (0.52) RAB9AMEN1NPC1KMT2AKEAP1
SCHEMBL3998724 0.94 RAB9A (0.53) RAB9AMEN1NPC1KMT2AKEAP1
SCHEMBL3998934 0.90 KEAP1 (0.48) RAB9AMEN1NPC1KMT2AKEAP1
SCHEMBL4000533 0.89 KEAP1 (0.51) RAB9AMEN1NPC1KMT2AKEAP1
SCHEMBL3999377 0.89 PTGER4 (0.41) RAB9AMEN1NPC1KMT2AATM
SCHEMBL3994003 0.89 KEAP1 (0.50) RAB9AMEN1NPC1KMT2AKEAP1
SCHEMBL3995334 0.89 KEAP1 (0.55) RAB9AMEN1NPC1KMT2AKEAP1
SCHEMBL4004399 0.88 KEAP1 (0.51) RAB9AMEN1NPC1KMT2AKEAP1
SCHEMBL3998260 0.87 KEAP1 (0.51) RAB9AMEN1NPC1KMT2AKEAP1
SCHEMBL4002493 0.87 KEAP1 (0.54) RAB9AMEN1NPC1KMT2AKEAP1

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