SCHEMBL5325772

SCHEMBL5325772

Cc1cc(OC[C@H](O)C(C)(C)O)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(C#N)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.68
▸ KCNH2 Q12809 5/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ THRB P10828 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TP53 P04637 4/20 0.42
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL5324773 1.00 SLC2A1 (0.68) SLC2A1KCNH2SMN1; SMN2THRBALDH1A1
SCHEMBL14399139 1.00 SLC2A1 (0.68) SLC2A1KCNH2SMN1; SMN2THRBALDH1A1
SCHEMBL5320726 0.89 SLC2A1 (0.54) SLC2A1KCNH2SMN1; SMN2THRBALDH1A1
SCHEMBL5323536 0.89 SLC2A1 (0.54) SLC2A1KCNH2SMN1; SMN2THRBALDH1A1
SCHEMBL14397306 0.89 SLC2A1 (0.54) SLC2A1KCNH2SMN1; SMN2THRBALDH1A1
SCHEMBL14398545 0.89 SLC2A1 (0.53) SLC2A1KCNH2SMN1; SMN2THRBALDH1A1
SCHEMBL14398255 0.89 SLC2A1 (0.53) SLC2A1KCNH2SMN1; SMN2THRBALDH1A1
SCHEMBL6933526 0.82 SLC2A1 (0.68) SLC2A1KCNH2SMN1; SMN2THRBALDH1A1
SCHEMBL6931984 0.80 SLC2A1 (0.65) SLC2A1KCNH2SMN1; SMN2THRBALDH1A1
SCHEMBL5623473 0.80 SLC2A1 (0.65) SLC2A1KCNH2SMN1; SMN2THRBALDH1A1

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
WO-2007121415-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 — — WO claimed
WO-2007121415-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 — — WO disclosed
WO-2007121415-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 — — WO disclosed
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