SCHEMBL3945317

SCHEMBL3945317

CC(OC(=O)C1=C(CCc2ccc3c(c2)OCO3)NC(=O)NC1c1ccc2c(c1)OCCO2)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 4/20 0.43
TSHR P16473 3/20 0.42
PKM P14618 2/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 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
SCHEMBL3951301 0.95 HTT (0.46) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL3944413 0.94 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL3942783 0.93 HTT (0.51) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL3948146 0.92 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL3951519 0.91 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL3942703 0.91 KMT2A (0.41) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL3951125 0.88 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL3946321 0.88 LMNA (0.40) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL3951486 0.86 HTT (0.53) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL3951093 0.84 HTT (0.55) SMN1; SMN2KMT2AMEN1POLBLMNA

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