SCHEMBL4345832

SCHEMBL4345832

Cc1cnc2c(I)cc(C(=O)N3CC4(C)CN(C(=O)c5cc(I)c6ncc(C)nc6c5)CC(C)(C3)C4=O)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.33
VNN1 O95497 5/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PDE2A O00408 1/20 0.31
SPR P35270 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
HPGD P15428 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL4354630 0.87 PDE2A (0.33) VNN1PDE2APIK3C3HPGD
SCHEMBL4350146 0.70 TDP1 (0.51) GAAKMT2AMEN1LMNAHPGD
SCHEMBL4347278 0.69 HPGD (0.59) GAAKMT2AVNN1MEN1LMNA
SCHEMBL4349456 0.68 HPGD (0.40) GAAKMT2AHPGD
SCHEMBL4353500 0.66 ATM (0.44) GAAKMT2AHPGD
SCHEMBL4342450 0.65 KDM4E (0.48) GAAKMT2AVNN1HPGDKDM4E
SCHEMBL4349007 0.65 KMT2A (0.41) GAAKMT2AALOX15MEN1LMNA
SCHEMBL4344636 0.63 GAA (0.47) GAAKMT2AALOX15SPRPIK3C3
SCHEMBL24019233 0.62 ATM (0.43) GAAKMT2AALOX15MEN1LMNA
SCHEMBL4352206 0.61 GAA (0.39) GAAKMT2AALOX15MEN1LMNA

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
EP-2088149-A1 PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) 2009-08-12 EP claimed
EP-2088149-A1 PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) 2009-08-12 EP disclosed