SCHEMBL3947172

SCHEMBL3947172

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 3/20 0.49
PKM P14618 2/20 0.49
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 1/20 0.45
PTGES O14684 1/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL3945209 0.91 HTT (0.56) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3946998 0.89 HTT (0.57) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3945900 0.88 HTT (0.54) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3950864 0.88 LMNA (0.50) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3943952 0.87 HTT (0.53) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3942370 0.84 HTT (0.51) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3950805 0.84 HTT (0.48) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3949402 0.80 PKM (0.48) LMNAKMT2AMEN1PKM
SCHEMBL3946633 0.80 RXFP1 (0.52) HTTTSHRKMT2AMEN1PKM
SCHEMBL3947537 0.79 MEN1 (0.50) TSHRKMT2AMEN1PKM

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