SCHEMBL29954020

SCHEMBL29954020

NC(=O)c1cccc(OC2CC2)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
KCNH2 Q12809 2/20 0.42
OPRK1 P41145 1/20 0.41
KAT2B Q92831 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
PARP10 Q53GL7 1/20 0.40
CTNNB1 P35222 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
PARP1 P09874 1/20 0.37
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
HRH1 P35367 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL29955534 0.86 EPHX2 (0.43) KCNH2KAT2BBAZ2BKDM4EMRGPRX1
SCHEMBL29952008 0.81 KAT2B (0.59) KAT2BBAZ2BMRGPRX1HRH1
SCHEMBL2486551 0.80 KCNH2 (0.58) MKNK1MKNK2KCNH2OPRK1KAT2B
SCHEMBL29951686 0.78 MKNK1 (0.44) MKNK1MKNK2KCNH2PARP10IRAK4
SCHEMBL1432308 0.78 MKNK1 (0.56) MKNK1MKNK2KCNH2OPRK1KAT2B
SCHEMBL29952128 0.78 MCHR1 (0.39) KAT2BBAZ2BHRH1
SCHEMBL29952660 0.76 PARP10 (0.40) MKNK1MKNK2KCNH2OPRK1KAT2B
SCHEMBL29951166 0.76 ERN1 (0.41) MKNK1MKNK2KCNH2OPRK1KAT2B
SCHEMBL20646728 0.75 KCNH2 (0.53) MKNK1MKNK2KCNH2OPRK1KAT2B
SCHEMBL19151444 0.75 KCNH2 (0.53) MKNK1MKNK2KCNH2OPRK1KAT2B

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