SCHEMBL4346476

SCHEMBL4346476

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.61
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40

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
SCHEMBL4347278 0.84 HPGD (0.59) HPGDKMT2APOLBALDH1A1MAPT
SCHEMBL4356080 0.82 HPGD (0.41) HPGDALDH1A1MAPT
SCHEMBL4347126 0.82 TDP1 (0.53) HPGDKMT2ATDP1ALDH1A1MAPT
SCHEMBL4354045 0.79 KMT2A (0.44) HPGDKMT2ATDP1ALDH1A1MAPT
SCHEMBL4347243 0.79 MAPT (0.42) HPGDKMT2APOLBTDP1ALDH1A1
SCHEMBL4351695 0.78 KDM4E (0.49) HPGDALDH1A1MAPTHDAC3HDAC2
SCHEMBL4527873 0.77 HPGD (0.97) HPGDPOLBALDH1A1GRIA3GRIA4
Cx516 SCHEMBL194605 0.76 HPGD (1.00) HPGDALDH1A1GRIA3GRIA4SMN1; SMN2
SCHEMBL4532102 0.76 HPGD (1.00) HPGDALDH1A1GRIA3GRIA4SMN1; SMN2
SCHEMBL4525058 0.76 HPGD (1.00) HPGDALDH1A1GRIA3GRIA4SMN1; SMN2

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