SCHEMBL4560485

SCHEMBL4560485

Cc1ccc(C)c2c1ncn2CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.55
CSNK2A1 P68400 3/20 0.55
LMNA P02545 1/20 0.47
ADORA2B P29275 1/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 2/20 0.43
HDAC6 Q9UBN7 3/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.40
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL3042764 0.78 PTGS2 (0.48) CSNK2A2CSNK2A1ADORA2BPTGS2HDAC6
SCHEMBL18323583 0.77 ADORA2A (0.41) ADORA2BALDH1A1TDP1
SCHEMBL15493532 0.71 CSNK2A1 (1.00) CSNK2A2CSNK2A1LMNAADORA2BKDM4E
SCHEMBL18742219 0.68 LMNA (0.51) CSNK2A2CSNK2A1LMNAADORA2BKDM4E
SCHEMBL951458 0.68 LMNA (0.48) CSNK2A2CSNK2A1LMNAADORA2BKDM4E
SCHEMBL8768486 0.68 LMNA (0.55) CSNK2A2CSNK2A1LMNAADORA2BKDM4E
Hydrochloric Acid SCHEMBL18742227 0.67 LMNA (0.50) CSNK2A2CSNK2A1LMNAADORA2BKDM4E
SCHEMBL7848634 0.67 PLAA (0.60) LMNAALDH1A1POLBMAPT
SCHEMBL30193179 0.67 PLAA (0.60) LMNAALDH1A1POLBMAPT
SCHEMBL8737256 0.66 IKBKB (0.36) LMNAADORA2BKDM4EALDH1A1POLB

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-2012065062-A1 NOVEL ANTIVIRAL COMPOUNDS PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) 2012-05-18 WO disclosed