SCHEMBL3230940

SCHEMBL3230940

CCc1ccc(OCc2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2C)c(-c2csc(N3CCC(C(=O)O)CC3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 15/20 0.39
GUCY1A2 P33402 15/20 0.39
GUCY1A1 Q02108 15/20 0.39
GUCY1B1 Q02153 15/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MPL P40238 1/20 0.37

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
SCHEMBL14952899 0.94 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL3231986 0.93 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3225181 0.90 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL3229933 0.86 L3MBTL1 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL14952900 0.85 L3MBTL1 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL3236714 0.85 SMN1; SMN2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1TP53
SCHEMBL3231416 0.84 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3995946 0.82 CYP2C9 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL3263161 0.82 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL3228958 0.82 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2

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
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