SCHEMBL3398333

SCHEMBL3398333

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(O)cc2F)NC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 3/20 0.49
PDE1C Q14123 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ADORA2B P29275 6/20 0.45
TP53 P04637 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
KIF11 P52732 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 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
SCHEMBL13425613 0.92 MEN1 (0.52) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL3399862 0.89 MAPK1 (0.53) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL3399115 0.88 MEN1 (0.52) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL3399386 0.87 MEN1 (0.49) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL13426215 0.84 KIF11 (0.62) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL13425966 0.84 KIF11 (0.62) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL3398042 0.84 KIF11 (0.62) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL3398354 0.84 MEN1 (0.64) MEN1KMT2AGAAPDE1CADORA2B
SCHEMBL3397968 0.84 MEN1 (0.52) MEN1KMT2AGAAPDE1CSMN1; SMN2
SCHEMBL3394451 0.83 KIF11 (0.64) MEN1KMT2AGAAPDE1CSMN1; SMN2

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed