SCHEMBL11151123

SCHEMBL11151123

CCN(CC)CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
MAOA P21397 14/20 0.65
MAOB P27338 14/20 0.65
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPK1 P28482 1/20 0.58
USP2 O75604 1/20 0.58
PKM P14618 1/20 0.56

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
SCHEMBL11146704 0.84 MAOA (0.70) SMN1; SMN2MAOAMAOBKMT2AMEN1
SCHEMBL11150726 0.82 SMN1; SMN2 (0.97) SMN1; SMN2MAOAMAOBKMT2AMEN1
SCHEMBL33834 0.82 KMT2A (0.70) SMN1; SMN2MAOAMAOBKMT2AMEN1
SCHEMBL28540042 0.81 MAOA (0.70) SMN1; SMN2MAOAMAOBKMT2AMEN1
SCHEMBL6454391 0.79 MAOA (0.67) SMN1; SMN2MAOAMAOBKMT2AMEN1
SCHEMBL28622147 0.79 MAOA (0.70) SMN1; SMN2MAOAMAOBKMT2AMEN1
SCHEMBL10662135 0.78 KMT2A (0.69) SMN1; SMN2MAOAMAOBKMT2AMEN1
SCHEMBL28619948 0.75 MAOA (0.93) SMN1; SMN2MAOAMAOBKMT2APKM
SCHEMBL2181562 0.75 ADORA2A (0.48) SMN1; SMN2MAOAMAOBKMT2AMEN1
SCHEMBL28629790 0.74 MAOA (0.74) SMN1; SMN2MAOAMAOBKMT2AMEN1

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-4416878-A ANTITUMOR AGENTS KLOSA JOSEF (DE) 1983-11-22 US disclosed