SCHEMBL3944670

SCHEMBL3944670

COc1cccc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OCc2cccc(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
SCHEMBL4135685 0.97 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3945166 0.93 HTT (0.57) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3951093 0.92 HTT (0.55) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3941781 0.92 TP53 (0.47) PKML3MBTL1
SCHEMBL3942911 0.91 HTT (0.63) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL4157885 0.90 LMNA (0.46) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3951120 0.90 TSHR (0.47) HTTTSHR
SCHEMBL3945382 0.90 TP53 (0.46) PKML3MBTL1
SCHEMBL3944960 0.90 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL13941768 0.90 HTT (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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