SCHEMBL8327433

SCHEMBL8327433

O=C(O)Cn1cncnc1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.41
CSNK2A1 P68400 2/20 0.41
LMNA P02545 2/20 0.41
ADORA2B P29275 1/20 0.41
PTGS2 P35354 2/20 0.40
HDAC6 Q9UBN7 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
EGLN3 Q9H6Z9 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
SCHEMBL4539265 0.69 ALDH1A1 (0.54) CSNK2A2CSNK2A1LMNAADORA2BPTGS2
SCHEMBL1155881 0.69 ALDH1A1 (0.42) CSNK2A2CSNK2A1LMNAADORA2BPTGS2
SCHEMBL3629428 0.68 CSNK2A2 (0.40) CSNK2A2CSNK2A1LMNAADORA2BPTGS2
SCHEMBL338773 0.68 HDAC6 (0.52) CSNK2A2CSNK2A1LMNAADORA2BPTGS2
SCHEMBL1692456 0.68 FDPS (0.56) CSNK2A2CSNK2A1LMNAADORA2BPTGS2
SCHEMBL11158585 0.67 KMO (0.40) CSNK2A2CSNK2A1LMNAADORA2BPTGS2
SCHEMBL11167289 0.67 ALDH1A1 (0.39) CSNK2A2CSNK2A1LMNAADORA2BPTGS2
SCHEMBL11160938 0.67 CSNK2A2 (0.42) CSNK2A2CSNK2A1LMNAADORA2BPTGS2
SCHEMBL6802916 0.67 HDAC6 (0.39) CSNK2A2CSNK2A1LMNAADORA2BPTGS2
SCHEMBL733483 0.67 CSNK2A2 (0.46) CSNK2A2CSNK2A1LMNAADORA2BPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229405-A Novel acetamide derivatives and protease inhibitors NIPPON KAYAKU KK (JP) 1999-09-22 CN disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed