SCHEMBL4639758

SCHEMBL4639758

CCC(C)n1c(=O)cc(N=CN(C)C)n(CC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5552020 0.89 LMNA (0.47) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL1946867 0.85 LMNA (0.47) LMNASMN1; SMN2HPGD
SCHEMBL2333544 0.82 LMNA (0.52) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL1546128 0.80 LMNA (0.46) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL2756837 0.77 LMNA (0.51) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL240142 0.77 LMNA (0.51) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4639746 0.75 LMNA (0.49) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL2543060 0.74 LMNA (0.45) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL1945158 0.74 LMNA (0.45) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8188866 0.74 LMNA (0.45) LMNASMN1; SMN2HPGDMEN1KMT2A

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
EP-1622908-B1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-08-06 EP disclosed