SCHEMBL4288044

SCHEMBL4288044

Cn1ccc2ncn(CC(=O)O)c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.52
HDAC6 Q9UBN7 3/20 0.46
LMNA P02545 1/20 0.46
CSNK2A2 P19784 2/20 0.43
CSNK2A1 P68400 2/20 0.43
EIF4EBP1 Q13541 1/20 0.39
PTGS2 P35354 2/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BRD9 Q9H8M2 1/20 0.38

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
SCHEMBL13575231 0.82 LMNA (0.48) LMNA
SCHEMBL13115679 0.79 ADORA2B (0.46) ADORA2BHDAC6LMNACSNK2A2CSNK2A1
SCHEMBL2695674 0.76 TRPA1 (0.64)
SCHEMBL2695230 0.75 TRPA1 (0.51)
SCHEMBL3042764 0.73 PTGS2 (0.48) ADORA2BHDAC6CSNK2A2CSNK2A1PTGS2
SCHEMBL18704122 0.71 ADORA2B (0.52) ADORA2BHDAC6LMNACSNK2A2CSNK2A1
SCHEMBL14291770 0.71 PTGS2 (0.49) ADORA2BHDAC6LMNACSNK2A2CSNK2A1
SCHEMBL3018296 0.71 ADORA2B (0.46) ADORA2BLMNASMN1; SMN2
SCHEMBL306877 0.71 STAT3 (0.47) ADORA2BHDAC6LMNACSNK2A2CSNK2A1
SCHEMBL306478 0.71 PTGS2 (0.46) ADORA2BHDAC6LMNACSNK2A2CSNK2A1

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
WO-2009158719-A2 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2009-12-30 WO disclosed
WO-2009158719-A2 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2009-12-30 WO disclosed