SCHEMBL4354045

SCHEMBL4354045

CC12CN(C(=O)c3ccc4nc([N+](=O)[O-])cnc4c3)CC(C)(CN(C(=O)c3ccc4nc([N+](=O)[O-])cnc4c3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.40
HPGD P15428 14/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4353500 0.88 ATM (0.44) KMT2AATMHPGDALDH1A1MAPT
SCHEMBL4356080 0.82 HPGD (0.41) HPGDALDH1A1MAPT
SCHEMBL4346476 0.79 HPGD (0.61) KMT2AHPGDALDH1A1MAPTTDP1
SCHEMBL4351695 0.79 KDM4E (0.49) HPGDALDH1A1MAPT
SCHEMBL4347126 0.78 TDP1 (0.53) KMT2AHPGDALDH1A1MAPTTDP1
SCHEMBL4347243 0.75 MAPT (0.42) KMT2AHPGDALDH1A1MAPTTDP1
SCHEMBL4349456 0.70 HPGD (0.40) KMT2AHPGDALDH1A1MAPT
SCHEMBL4342450 0.67 KDM4E (0.48) KMT2AHPGDALDH1A1MAPT
SCHEMBL4347278 0.65 HPGD (0.59) KMT2AHPGDALDH1A1MAPT
SCHEMBL4350380 0.65 FASN (0.34) ALDH1A1

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