SCHEMBL13708570

SCHEMBL13708570

Cc1cccc2c1C(=O)N(CC(C)C)C2CC(=O)N=C(N)N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.35
HTR7 P34969 3/20 0.35
PARP1 P09874 1/20 0.35
SLC9A1 P19634 4/20 0.33
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
BACE1 P56817 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 1/20 0.32
ADRA2A P08913 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL13708537 0.85 FFAR1 (0.37) HTR2BHTR7KMT2AALDH1A1
SCHEMBL4475021 0.84 MDM2 (0.39) PARP1NOD2NOD1PARP2MEN1
SCHEMBL4470947 0.81 PARP1 (0.34) PARP1NOD2NOD1PARP2MEN1
SCHEMBL13708578 0.81 BACE1 (0.35) PARP1SLC9A1BACE1KMT2ALMNA
SCHEMBL28746674 0.81 IDO1 (0.40) NOD2NOD1MEN1KMT2AHSD17B10
SCHEMBL13708577 0.80 NPC1 (0.37) SLC9A1BACE1MEN1KMT2ALMNA
SCHEMBL13708568 0.78 HTR5A (0.33) PARP1SLC9A1
SCHEMBL13708554 0.78 MDM2 (0.37) HTR2BHTR7SLC9A1BACE1MDM2
SCHEMBL13708556 0.78 SLC9A1 (0.32) SLC9A1MEN1KMT2AHTR6
SCHEMBL13708565 0.78 TRPA1 (0.39) HTR2BHTR7PARP1SLC9A1PARP2

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