SCHEMBL29957552

SCHEMBL29957552

C=CCOc1ccc(F)cc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2C P28335 8/20 0.46
HTR2A P28223 6/20 0.46
KDM4E B2RXH2 1/20 0.40
TSHR P16473 3/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR2B P41595 4/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
LIG1 P18858 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2558775 0.83 AKR1C3 (0.36) MAPTL3MBTL1HTR2CHTR2AMAPK1
SCHEMBL29955810 0.83 MTNR1A (0.44) MAPTKDM4EHPGDMAPK1ALDH1A1
SCHEMBL2558777 0.83 AKR1C3 (0.36) MAPTL3MBTL1HTR2CHTR2AMAPK1
SCHEMBL29951691 0.82 KDM4E (0.41) MAPTKDM4ETSHRGAAMEN1
SCHEMBL15329658 0.80 KMT2A (0.40) MAPTL3MBTL1KDM4ETSHRGAA
SCHEMBL29952296 0.80 L3MBTL1 (0.42) L3MBTL1TSHRMEN1KMT2AHSD17B10
SCHEMBL1440694 0.80 L3MBTL1 (0.42) L3MBTL1TSHRMEN1KMT2AHSD17B10
SCHEMBL28821754 0.80 LIPE (0.56) MAPTL3MBTL1HTR2AKDM4ETSHR
SCHEMBL15331160 0.77 PKM (0.40) MAPTL3MBTL1HTR2CHTR2AKDM4E
SCHEMBL263259 0.77 HTR2C (0.46) MAPTL3MBTL1HTR2CHTR2AKDM4E

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