SCHEMBL29953457

SCHEMBL29953457

OB(O)c1ncccc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.38
MPI P34949 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAPRT Q6XQN6 1/20 0.36
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
CTH P32929 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL290645 1.00 KDM4E (0.38) KDM4EMPIL3MBTL1NAPRTMAPT
SCHEMBL29354585 0.82 KDM4E (0.49) KDM4EMPIL3MBTL1NPC1
SCHEMBL29091457 0.74 ALDH1A1 (0.45) KDM4EMPIL3MBTL1MAPTHTT
SCHEMBL29232877 0.74 ENPP2 (0.37) KDM4EL3MBTL1MAPTHTTNPC1
SCHEMBL29953696 0.74 ALDH1A1 (0.45) KDM4EMPIL3MBTL1MAPTHTT
SCHEMBL729391 0.73 HSP90AA1 (0.38) KDM4ENAPRTMAPTHTT
SCHEMBL982637 0.73 LMNA (0.38) KDM4EL3MBTL1MAPTHTTNFE2L2
SCHEMBL3563575 0.73 TRIM24 (0.38) KDM4EMAPTHTTNPC1
SCHEMBL2108200 0.73 NOS3 (0.46) KDM4EL3MBTL1MAPTHTTNPC1
SCHEMBL29517081 0.73 HSP90AA1 (0.38) KDM4ENAPRTMAPTHTT

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