SCHEMBL4203997

SCHEMBL4203997

CC(=O)Nc1cccc(OCC(=O)CC(=O)OCc2cccc(C#N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AHR P35869 1/20 0.47
GAA P10253 1/20 0.46
BTK Q06187 1/20 0.45
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
MAOB P27338 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL6809507 0.80 SMN1; SMN2 (0.73) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL3949409 0.77 MRGPRX4 (0.50) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL20954353 0.77 FFAR1 (0.49) BTKLMNASGMS2MAOB
SCHEMBL26274509 0.74 ALDH1A1 (0.61) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL26274009 0.74 LMNA (0.57) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL3941686 0.73 RAB9A (0.52) RAB9ANPC1MAPTGAAMCHR1
SCHEMBL171190 0.72 ALDH1A1 (0.66) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL30368222 0.72 ALDH1A1 (0.66) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL13942048 0.72 RAB9A (0.64) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL10755249 0.71 NPC1 (0.74) SMN1; SMN2RAB9ANPC1MAPTMEN1

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