SCHEMBL3363035

SCHEMBL3363035

CC(NNC(=O)c1ccncc1)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.70
MAOB P27338 1/20 0.70
PTGS2 P35354 1/20 0.70
HPGD P15428 3/20 0.64
LMNA P02545 3/20 0.64
ALDH1A1 P00352 2/20 0.58
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
TP53 P04637 2/20 0.54
KDM4E B2RXH2 1/20 0.50
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.46

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
SCHEMBL8803477 0.83 MAOA (0.54) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL12320662 0.83 MAOA (0.54) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL4664485 0.83 MAOA (0.54) MAOAMAOBPTGS2HPGDLMNA
Iproniazid SCHEMBL4153 0.82 MAOA (1.00) MAOAMAOBPTGS2HPGDLMNA
Iproniazid SCHEMBL3597361 0.81 MAOA (0.96) MAOAMAOBPTGS2HPGDLMNA
Iproniazid SCHEMBL3001881 0.81 MAOA (0.96) MAOAMAOBPTGS2HPGDLMNA
Iproniazid SCHEMBL158555 0.78 HPGD (1.00) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL2989617 0.78 MAOA (0.67) MAOAMAOBPTGS2HPGDLMNA
Iproniazid SCHEMBL15200763 0.77 HPGD (1.00) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL3001440 0.77 MAOA (0.70) MAOAMAOBPTGS2HPGDLMNA

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
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed