SCHEMBL29953590

SCHEMBL29953590

CCNC(=O)c1cccc(-c2cccc(C=O)c2O)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.55
CDK8 P49336 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMYD2 Q9NRG4 1/20 0.40

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
SCHEMBL29954336 0.85 ERN1 (0.48) ERN1CDK8
SCHEMBL2556119 0.81 ERN1 (0.41) ERN1
SCHEMBL29951315 0.81 ERN1 (0.66) ERN1CDK8SMN1; SMN2ALDH1A1
SCHEMBL29955952 0.81 ERN1 (0.81) ERN1CDK8
SCHEMBL2556740 0.79 ERN1 (0.61) ERN1ALDH1A1
SCHEMBL29957068 0.79 ERN1 (0.61) ERN1SMN1; SMN2
SCHEMBL2560703 0.78 ERN1 (0.62) ERN1
SCHEMBL13626333 0.77 SMYD2 (0.61) CDK8SMN1; SMN2ALDH1A1SMYD2
SCHEMBL24720336 0.76 HDAC1 (0.46) ERN1CDK8SMN1; SMN2
SCHEMBL13702348 0.75 CDK8 (0.56) ERN1CDK8SMN1; SMN2ALDH1A1

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