SCHEMBL3946321

SCHEMBL3946321

COc1ccc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OC(C)c2cccc(C#N)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HTT P42858 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.39
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
CSF1R P07333 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3944413 0.90 SMN1; SMN2 (0.46) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3951301 0.89 HTT (0.46) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3950864 0.89 LMNA (0.50) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3945317 0.88 SMN1; SMN2 (0.44) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3942783 0.88 HTT (0.51) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3948146 0.88 SMN1; SMN2 (0.52) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3951519 0.86 SMN1; SMN2 (0.44) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3951125 0.85 SMN1; SMN2 (0.39) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3942703 0.82 KMT2A (0.41) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3950517 0.82 HTT (0.37) LMNAHTTSMN1; SMN2ALDH1A1TSHR

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