SCHEMBL29956876

SCHEMBL29956876

N#Cc1c[nH]c(=O)c(B(O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.35
MCL1 Q07820 6/20 0.35
DAO P14920 5/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
DPYD Q12882 1/20 0.32
CSF1R P07333 1/20 0.32
TTR P02766 1/20 0.31
ALB P02768 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
SCHEMBL13729992 0.75 DPYD (0.39) MCL1DAOKDM4EALDH1A1HPGD
SCHEMBL21333260 0.72 MCL1 (0.55) MCL1DAOKDM4EALDH1A1HPGD
SCHEMBL31399395 0.71 ALDH1A1 (0.44) MCL1DAOKDM4EALDH1A1HPGD
SCHEMBL15358113 0.67 ALDH1A1 (0.44) MCL1DAOKDM4EALDH1A1HPGD
SCHEMBL1779488 0.66
SCHEMBL1075092 0.65 CSF1R (0.41) ALDH1A1CSF1RTTRALB
SCHEMBL13723336 0.65 ENPP2 (0.47) ENPP2KDM4EALDH1A1TTRALB
SCHEMBL5173532 0.65
SCHEMBL1857408 0.63 SMN1; SMN2 (0.46) DAOCSF1R
SCHEMBL7375091 0.63 ENPP2 (0.48) ENPP2ALDH1A1TTRALB

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