SCHEMBL6690334

SCHEMBL6690334

Cn1c(=O)[nH]c(=O)c2[nH]ncc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PDE3A Q14432 6/20 0.39
PDE3B Q13370 5/20 0.39
PDE2A O00408 4/20 0.39
CYP3A4 P08684 2/20 0.39
PMP22 Q01453 2/20 0.39
MAPK1 P28482 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
GAA P10253 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
BLM P54132 2/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL612453 0.72 ATAD2 (0.44) ADORA2AADORA2BGAAMAPTKDM4E
SCHEMBL8317662 0.68 RXFP1 (0.45) RXFP1ALDH1A1PDE3APDE3BPDE2A
SCHEMBL18255880 0.67 MAPK1 (0.46) ALDH1A1PDE3APDE3BPDE2ACYP3A4
SCHEMBL10957749 0.65 CSNK2A2 (0.43) RXFP1ALDH1A1PDE3ACYP3A4PMP22
SCHEMBL18256005 0.64 PARP1 (0.44) RXFP1PDE3APDE3BADORA2AADORA3
SCHEMBL18256035 0.64 RXFP1 (0.45) RXFP1PDE3APDE3BPDE2AADORA2A
SCHEMBL3289561 0.63
SCHEMBL3663241 0.63 APAF1 (0.44) RXFP1ALDH1A1PDE3APDE3BPDE2A
3-Methylxanthine SCHEMBL237146 0.63 ADORA2A (0.64) PDE3ACYP3A4PMP22MAPK1ADORA2A
SCHEMBL29361697 0.63 APAF1 (0.44) RXFP1ALDH1A1PDE3APDE3BPDE2A

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
JP-2004514440-A 2004-05-20 JP claimed
EP-1348035-A2 METHOD FOR BASE SEQUENCING AND BIOLOGICALLY ACTIVE NUCLEIC ACIDS Riken (JP) 2003-10-01 EP claimed
WO-2002044195-A2 METHOD FOR BASE SEQUENCING AND BIOLOGICALLY ACTIVE NUCLEIC ACIDS RIKEN (JP) 2002-06-06 WO claimed