SCHEMBL9018587

SCHEMBL9018587

CNCC(=O)NCCNC(=O)CN

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.44
CA1 P00915 9/20 0.44
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
TERT O14746 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
PAOX Q6QHF9 2/20 0.30

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
SCHEMBL13311543 0.88 CA1 (0.46) CA2CA1MEN1KMT2AALDH1A1
SCHEMBL12655123 0.86
SCHEMBL12022323 0.84
SCHEMBL12022309 0.83 CA1 (0.43) CA2CA1MEN1KMT2AALDH1A1
SCHEMBL12638220 0.83 CA1 (0.41) CA2CA1ALDH1A1SLC6A5
SCHEMBL3074874 0.83 CA2 (0.44) CA2CA1MEN1KMT2AALDH1A1
SCHEMBL23568447 0.80 PAOX (0.47) CA2CA1MEN1KMT2AALDH1A1
SCHEMBL19734583 0.80 CA1 (0.42) CA2CA1MEN1KMT2AALDH1A1
SCHEMBL15533627 0.79 CA1 (0.41) CA2CA1MEN1KMT2AALDH1A1
SCHEMBL15984918 0.79 CA1 (0.41) CA2CA1MEN1KMT2AALDH1A1

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-0748226-A1 BLOCK COPOLYMERS NYCOMED IMAGING AS (NO) 1996-12-18 EP disclosed