SCHEMBL29957809

SCHEMBL29957809

CNC(=O)c1cccc(-c2ccc(C=O)c(O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.59
CRBN Q96SW2 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CDK8 P49336 1/20 0.46
PDK2 Q15119 1/20 0.45
MAP4K4 O95819 1/20 0.45

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
SCHEMBL13018246 0.89 ERN1 (0.74) ERN1
SCHEMBL29953817 0.89 ERN1 (0.74) ERN1
SCHEMBL29951315 0.85 ERN1 (0.66) ERN1CDK8
SCHEMBL29952332 0.83 PLK1 (0.47) ERN1HDAC8HDAC6CDK8
SCHEMBL15331501 0.82 ERN1 (0.77) ERN1
SCHEMBL29955051 0.81 ERN1 (0.72) ERN1MAP4K4
SCHEMBL13702375 0.81 HDAC8 (0.68) CRBNHDAC8HDAC6CDK8PDK2
SCHEMBL2552977 0.81 ERN1 (0.78) ERN1
SCHEMBL12651049 0.81 CRBN (0.54) ERN1CRBNHDAC8HDAC6CDK8
SCHEMBL29954336 0.79 ERN1 (0.48) ERN1HDAC8HDAC6CDK8PDK2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed