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SCHEMBL3399386

SCHEMBL3399386

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ PDE1C Q14123 2/20 0.47
▸ GAA P10253 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ADORA2B P29275 6/20 0.42
▸ TP53 P04637 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL3398333 0.87 MEN1 (0.52) MEN1KMT2APDE1CGAASMN1; SMN2
SCHEMBL3399306 0.85 PDE1C (0.64) MEN1KMT2APDE1CGAASMN1; SMN2
SCHEMBL3399309 0.85 PDE1C (0.64) MEN1KMT2APDE1CGAASMN1; SMN2
SCHEMBL3395365 0.85 KMT2A (0.59) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3395367 0.85 KMT2A (0.59) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3399115 0.83 MEN1 (0.52) MEN1KMT2APDE1CGAASMN1; SMN2
SCHEMBL13425613 0.81 MEN1 (0.52) MEN1KMT2APDE1CGAASMN1; SMN2
SCHEMBL3397968 0.81 MEN1 (0.52) MEN1KMT2APDE1CGAASMN1; SMN2
SCHEMBL3395886 0.79 MEN1 (0.62) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3435151 0.79 MEN1 (0.61) MEN1KMT2APDE1CGAASMN1; 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