SCHEMBL29484231

SCHEMBL29484231

Nc1ccc(B(O)O)cc1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
F11 P03951 1/20 0.39

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
SCHEMBL28744374 1.00 ENPP2 (0.50) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL3791258 0.80 ALOX15 (0.52) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL3788231 0.80 ALDH1A1 (0.48) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL28939320 0.80 ENPP2 (0.46) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL3790188 0.78 ENPP2 (0.45) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL3790464 0.78 ENPP2 (0.45) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL3194289 0.78 ALDH1A1 (0.50) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL189833 0.78 ALDH1A1 (0.50) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL3190381 0.78 TTR (0.55) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL2164623 0.78 ALDH1A1 (0.50) ENPP2ALDH1A1KDM4ECA2CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114405545-B Cellulose inscription mimic enzyme, construction method and application thereof 河南科技大学 2024-06-07 CN claimed
CN-114405545-B Cellulose inscription mimic enzyme, construction method and application thereof 河南科技大学 2024-06-07 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114405545-A Cellulose endoblotting mimic enzyme, construction method and application thereof 河南科技大学 2022-04-29 CN disclosed