SCHEMBL3239261

SCHEMBL3239261

Cc1ccc(OCc2ccc(-c3ccc(C#N)cc3)cc2C)c(-c2csc(N3CCC(C(=O)O)CC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 19/20 0.47
GUCY1A2 P33402 19/20 0.47
GUCY1A1 Q02108 19/20 0.47
GUCY1B1 Q02153 19/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Monoethanolamine SCHEMBL3239701 0.96 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3233312 0.94 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3233780 0.93 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3231021 0.93 SMN1; SMN2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3228802 0.93 SMN1; SMN2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3230950 0.92 RAB9A (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3234749 0.92 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3230062 0.92 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3230163 0.92 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1
SCHEMBL3230876 0.92 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPC1

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-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO 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-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed