SCHEMBL3945209

SCHEMBL3945209

COc1ccc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OCc2cccc(F)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 3/20 0.51
PKM P14618 3/20 0.51
KDM4E B2RXH2 2/20 0.48
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 0.43
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3946998 0.91 HTT (0.57) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3947172 0.91 HTT (0.50) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3950864 0.89 LMNA (0.50) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3949402 0.89 PKM (0.48) LMNAKMT2AMEN1PKMRXFP1
SCHEMBL3946633 0.89 RXFP1 (0.52) HTTKMT2ATSHRMEN1PKM
SCHEMBL3949407 0.88 HTT (0.69) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3942370 0.87 HTT (0.51) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3949567 0.87 HTT (0.59) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3944398 0.87 HTT (0.60) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3941565 0.87 HTT (0.57) HTTSMN1; SMN2LMNAKMT2ATSHR

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