SCHEMBL3950864

SCHEMBL3950864

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
HTT P42858 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 3/20 0.49
TSHR P16473 2/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.40

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 0.89 HTT (0.57) LMNAHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL3945209 0.89 HTT (0.56) LMNAHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL3939707 0.89 RXFP1 (0.44) HTTTSHRKMT2AMEN1
SCHEMBL3950563 0.89 MEN1 (0.42) LMNAKMT2AMEN1
SCHEMBL3951093 0.89 HTT (0.55) LMNAHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL3946321 0.89 LMNA (0.40) LMNAHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL3947317 0.88 HTT (0.56) LMNAHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL3942370 0.88 HTT (0.51) LMNAHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL13942349 0.88 HTT (0.54) LMNAHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL3945166 0.88 HTT (0.57) LMNAHTTSMN1; SMN2ALDH1A1PKM

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