SCHEMBL3229063

SCHEMBL3229063

Cc1cc(-c2ccc(C#N)cc2)ccc1COc1c(F)cc(F)cc1-c1csc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 13/20 0.45
GUCY1A2 P33402 13/20 0.45
GUCY1A1 Q02108 13/20 0.45
GUCY1B1 Q02153 13/20 0.45
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 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
SCHEMBL14952909 0.94 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3222749 0.90 SMN1; SMN2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3231021 0.89 SMN1; SMN2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3230866 0.89 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3222823 0.89 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3228953 0.89 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL4005210 0.88 GLP1R (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3234891 0.88 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3239175 0.87 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3230163 0.85 GUCY1B2 (0.44) 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 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