SCHEMBL4347278

SCHEMBL4347278

CC12CN(C(=O)c3ccc4nccnc4c3)CC(C)(CN(C(=O)c3ccc4nccnc4c3)C1)C2=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
GAA P10253 2/20 0.45
KMT2A Q03164 5/20 0.43
CYP2D6 P10635 1/20 0.43
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.41
VNN1 O95497 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.39
CDK6 Q00534 1/20 0.39
LMNA P02545 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL4346476 0.84 HPGD (0.61) HPGDKMT2APOLBALDH1A1MAPT
SCHEMBL4349456 0.82 HPGD (0.40) HPGDGAAKMT2AALDH1A1MAPT
SCHEMBL4350146 0.82 TDP1 (0.51) HPGDGAAKMT2AALDH1A1MAPT
SCHEMBL4353500 0.80 ATM (0.44) HPGDGAAKMT2AALDH1A1MAPT
SCHEMBL4349007 0.79 KMT2A (0.41) HPGDGAAKMT2APOLBALDH1A1
SCHEMBL4342450 0.79 KDM4E (0.48) HPGDGAAKMT2AVNN1ALDH1A1
SCHEMBL4527873 0.76 HPGD (0.97) HPGDPOLBALDH1A1GRIA3GRIA4
SCHEMBL4532102 0.75 HPGD (1.00) HPGDALDH1A1GRIA3GRIA4
SCHEMBL4525058 0.75 HPGD (1.00) HPGDALDH1A1GRIA3GRIA4
Cx516 SCHEMBL31660971 0.75 HPGD (1.00) HPGDALDH1A1GRIA3GRIA4

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