SCHEMBL7015205

SCHEMBL7015205

Cn1c(=O)c2c(ncn2Cc2ccc(C(=O)c3ccccc3CN3CCN(c4ccccc4)CC3)cc2)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
HTR7 P34969 1/20 0.57
HTR6 P50406 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
RXFP1 Q9HBX9 2/20 0.56
ADORA2B P29275 1/20 0.56
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
MAPT P10636 1/20 0.47
TSHR P16473 3/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 3/20 0.47
UBE2N P61088 2/20 0.47
CASP1 P29466 1/20 0.46
GLA P06280 1/20 0.46
USP2 O75604 1/20 0.46
HIF1A Q16665 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
SCHEMBL7016047 0.80 SMN1; SMN2 (0.66) L3MBTL1SMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL7015211 0.80 SMN1; SMN2 (0.52) L3MBTL1HTR7HTR6SMN1; SMN2RXFP1
SCHEMBL7015995 0.80 MAPT (0.40) L3MBTL1HTR7HTR6SMN1; SMN2ALDH1A1
SCHEMBL1810048 0.77 HTR7 (0.84) L3MBTL1HTR7HTR6SMN1; SMN2RXFP1
SCHEMBL683655 0.77 HTR7 (0.77) L3MBTL1HTR7HTR6SMN1; SMN2RXFP1
SCHEMBL29256880 0.76 ADORA2B (0.74) L3MBTL1SMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL7011108 0.75 LMNA (0.84) L3MBTL1SMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL7018070 0.75 LMNA (0.68) L3MBTL1SMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL7011204 0.75 LMNA (0.68) L3MBTL1SMN1; SMN2RXFP1ADORA2BALDH1A1
SCHEMBL1944405 0.74 ADORA2B (1.00) L3MBTL1SMN1; SMN2RXFP1ADORA2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed