SCHEMBL3946046

SCHEMBL3946046

CC(=O)Nc1cccc(OCC2=C(C(=O)OCc3cccc(C#N)c3)C(c3ccc4c(c3)NC(=O)CO4)NC(=O)N2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.43
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 1/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3946640 0.89 CTDSP1 (0.48) CTDSP1MAPK1HSD17B10L3MBTL1
SCHEMBL3943277 0.88 CTDSP1 (0.43) CTDSP1MAPK1HSD17B10TDP1MAOB
SCHEMBL3942453 0.87 CTDSP1 (0.49) CTDSP1MAPK1HSD17B10MEN1KMT2A
SCHEMBL4101784 0.86 LMNA (0.45) CTDSP1HTTSMN1; SMN2LMNATSHR
SCHEMBL3940676 0.84 HTT (0.40) CTDSP1MAPK1HTTSMN1; SMN2LMNA
SCHEMBL3945150 0.83 CTDSP1 (0.43) CTDSP1MAPK1HSD17B10MAOBTSHR
SCHEMBL3947163 0.83 LMNA (0.40) HTTMEN1LMNATSHRKMT2A
SCHEMBL3950666 0.81 LMNA (0.44) MAPK1HTTSMN1; SMN2MEN1LMNA
SCHEMBL3944723 0.80 SMN1; SMN2 (0.40) MAPK1TDP1HTTSMN1; SMN2MEN1
SCHEMBL3941659 0.80 HTT (0.49) MAPK1HTTSMN1; SMN2MEN1LMNA

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