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SCHEMBL4135685

SCHEMBL4135685

COc1cccc(COC(=O)C2=C(CCc3ccc4c(c3)OCO4)NC(=O)NC2c2cccc(C#N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 7/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ TSHR P16473 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3944670 0.97 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3945166 0.93 HTT (0.57) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3945382 0.92 TP53 (0.46) PKML3MBTL1
SCHEMBL4157885 0.90 LMNA (0.46) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3951093 0.90 HTT (0.55) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3950739 0.90 HTT (0.67) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3941781 0.90 TP53 (0.47) PKML3MBTL1
SCHEMBL3952033 0.90 HTT (0.55) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3944533 0.90 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3942911 0.89 HTT (0.63) HTTSMN1; SMN2ALDH1A1LMNATSHR

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-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed