SCHEMBL3946405

SCHEMBL3946405

COc1cccc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OCc2ccc(F)c(C#N)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 2/20 0.49
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3942078 0.92 PKM (0.46) PKML3MBTL1
SCHEMBL3951390 0.91 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3951713 0.91 HTT (0.52) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3943612 0.91 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3948015 0.91 HTT (0.61) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3951199 0.91 RXFP1 (0.48) HTTTSHRL3MBTL1
SCHEMBL3944670 0.89 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL3944657 0.88 PKM (0.52) PKML3MBTL1
SCHEMBL3942352 0.88 PKM (0.47) MEN1KMT2APKM
SCHEMBL3941565 0.88 HTT (0.57) 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