SCHEMBL29954639

SCHEMBL29954639

COCc1cc(B(O)O)cs1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
DPP4 P27487 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28348831 0.78 DAO (0.47) CA1CA2L3MBTL1
SCHEMBL28521420 0.76 ALDH1A1 (0.45) ENPP2POLBL3MBTL1
SCHEMBL28521411 0.75 ENPP2 (0.51) ENPP2POLB
SCHEMBL28529096 0.75 NPC1 (0.42) ENPP2CA2L3MBTL1
SCHEMBL2761029 0.74 KDM4E (0.34) POLBTDP1L3MBTL1
SCHEMBL28530451 0.74 ENPP2 (0.43) ENPP2CA1CA2POLB
SCHEMBL28520513 0.74 CA1 (0.41) ENPP2CA1CA2TDP1L3MBTL1
SCHEMBL14492465 0.73 PRMT6 (0.34) CA2
SCHEMBL28519499 0.73 RXRA (0.40) ENPP2TDP1L3MBTL1
SCHEMBL2007810 0.71

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