SCHEMBL4594817

SCHEMBL4594817

CC[C@H](C)[C@H](NC(C)c1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
APAF1 O14727 1/20 0.44
ACP3 P15309 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
POLB P06746 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ANPEP P15144 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7316181 0.88 MEN1 (0.52) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL27488761 0.88 MEN1 (0.52) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL1169310 0.88 MEN1 (0.50) MEN1KMT2AAPAF1ACP3SIGMAR1
SCHEMBL7314848 0.88 MEN1 (0.52) MEN1KMT2ASMN1; SMN2POLBALDH1A1
Hydrochloric Acid SCHEMBL8614874 0.86 MEN1 (0.51) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL7315861 0.83 ACP3 (0.47) MEN1KMT2AAPAF1ACP3SIGMAR1
SCHEMBL17161710 0.81 MEN1 (0.53) MEN1KMT2AAPAF1ACP3SIGMAR1
SCHEMBL10448120 0.78 CYP2C9 (0.44) MEN1KMT2ASMN1; SMN2ANPEP
SCHEMBL5513822 0.76 ACP3 (0.50) MEN1KMT2AAPAF1ACP3SIGMAR1
SCHEMBL7365794 0.76 ACP3 (0.50) MEN1KMT2AAPAF1ACP3SIGMAR1

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
EP-1871379-A2 CYANOARYLAMINES Smithkline Beecham Corporation (US) 2008-01-02 EP claimed
WO-2006113552-A2 CYANOARYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO claimed