SCHEMBL3239175

SCHEMBL3239175

CCOC(=O)C1CCN(c2nc(-c3cc(F)cc(F)c3OCc3ccc(-c4ccc(C#N)cc4C)cc3C)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 6/20 0.40
GUCY1A2 P33402 6/20 0.40
GUCY1A1 Q02108 6/20 0.40
GUCY1B1 Q02153 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
RET P07949 1/20 0.36

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 0.93 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3229063 0.87 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3233794 0.86 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3234892 0.85 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL14952964 0.82 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3230062 0.80 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3234836 0.79 L3MBTL1 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL3233312 0.78 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3224902 0.78 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3222749 0.78 SMN1; SMN2 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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