SCHEMBL13708554

SCHEMBL13708554

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.37
HTR2B P41595 2/20 0.37
HTR7 P34969 1/20 0.37
BACE1 P56817 2/20 0.37
TP53 P04637 2/20 0.37
SLC9A1 P19634 4/20 0.36
P2RX7 Q99572 2/20 0.35
KCNA5 P22460 3/20 0.34
MCL1 Q07820 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
FFAR1 O14842 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL13708555 0.92 HTR2B (0.40) MDM2HTR2BHTR7BACE1TP53
SCHEMBL13708578 0.88 BACE1 (0.35) BACE1SLC9A1KDM4E
SCHEMBL13708556 0.87 SLC9A1 (0.32) SLC9A1MCL1KDM4EFFAR1
SCHEMBL13708566 0.87 FFAR1 (0.34) HTR2BSLC9A1P2RX7HPGDFFAR1
SCHEMBL13708537 0.85 FFAR1 (0.37) HTR2BHTR7KCNA5HPGDFFAR1
SCHEMBL13708553 0.85 DNMT1 (0.33) SLC9A1MCL1
SCHEMBL13708564 0.85 PARP10 (0.33)
SCHEMBL13708559 0.84 SLC9A1 (0.35) BACE1TP53SLC9A1
SCHEMBL4479423 0.84 MDM2 (0.47) MDM2TP53P2RX7MCL1KDM4E
SCHEMBL13708619 0.83 MDM2 (0.41) MDM2HTR2BHTR7BACE1TP53

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