SCHEMBL13708564

SCHEMBL13708564

CC(C)CN1C(=O)c2cc(OC(C)C)ccc2C1CC(=O)N=C(N)N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
ACACB O00763 2/20 0.32
GLA P06280 1/20 0.32
BRD4 O60885 1/20 0.31
BRPF1 P55201 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
HTR6 P50406 1/20 0.31
FFAR4 Q5NUL3 3/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL13708578 0.86 BACE1 (0.35) KMT2AL3MBTL1HTR6
SCHEMBL13708554 0.85 MDM2 (0.37)
SCHEMBL4474014 0.85 FFAR4 (0.40) KMT2AMEN1L3MBTL1BRD4BRPF1
SCHEMBL13708537 0.83 FFAR1 (0.37) KMT2A
SCHEMBL13708553 0.83 DNMT1 (0.33) L3MBTL1HTR6
SCHEMBL13708559 0.82 SLC9A1 (0.35) HTR6
SCHEMBL4469652 0.82 KMT2A (0.34) PARP10KMT2AMEN1L3MBTL1ICAM1
SCHEMBL27552569 0.81 IDO1 (0.38) KMT2AMEN1L3MBTL1BRD4
SCHEMBL13708566 0.81 FFAR1 (0.34) KMT2AMEN1
SCHEMBL13708557 0.80 PLAU (0.33) KMT2AMEN1PRMT5WDR77

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
US-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed
US-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed