SCHEMBL29952797

SCHEMBL29952797

N#Cc1c(O)cccc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
ENPP2 Q13822 4/20 0.38
SOS2 Q07890 1/20 0.35
ADAMTS4 O75173 1/20 0.33
EGFR P00533 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
FYN P06241 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL2285228 0.79 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7375093 0.79 TSHR (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13159632 0.79 CYP1A2 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4966189 0.78 KDM4E (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29953053 0.78 KDM4E (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4236738 0.78 ENPP2 (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1821215 0.78 KDM4E (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL132727 0.75 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EGAAENPP2
SCHEMBL29438369 0.75 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EGAAENPP2
SCHEMBL29957062 0.75 ENPP2 (0.57) ALDH1A1MAPTKMT2AKDM4EENPP2

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