SCHEMBL6865846

SCHEMBL6865846

CN(C)c1ccnc2c1C(=O)c1nccc3ccnc-2c13

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.37
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
CREBBP Q92793 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34

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
SCHEMBL6866314 0.87 MAOA (0.37) MAOAMAPTKDM4ELMNAMAPK1
SCHEMBL6410245 0.77 ALDH1A1 (0.35) MAPTKDM4ELMNAMAPK1TDP1
SCHEMBL6409833 0.75 MAOA (0.40) MAOAMAPTKDM4ELMNAMAPK1
SCHEMBL6859938 0.75 MAOA (0.40) MAOAMAPTKDM4ELMNAMAPK1
SCHEMBL6407178 0.74 MAPT (0.50) MAOAMAPTKDM4ELMNAMAPK1
SCHEMBL6859768 0.74 KMT2A (0.34) MAOAMAPTKDM4ELMNAMAPK1
SCHEMBL6414875 0.72 ALDH1A1 (0.34) MAPTKDM4ELMNAMAPK1TDP1
SCHEMBL7182934 0.68 TERT (0.57) MAOAKDM4EHTTPOLBHPGD
SCHEMBL6414255 0.68 HTT (0.34) MAOAMAPTKDM4ELMNAMAPK1
SCHEMBL6407305 0.66 HPGD (0.48) MAOAMAPTKDM4ELMNAMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809096-B1 SUCH AS 11-METHOXY-7H-PYRIDO(4,3,2-DE)(1,7)PHENANTHROLINE-7-ONE; ANTITUMOR AGENTS LABORATOIRE L. LAFON (FR) 2004-10-26 US disclosed