SCHEMBL29956918

SCHEMBL29956918

O=S(=O)(c1ccc(B(O)O)cc1)n1cccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
ENPP2 Q13822 2/20 0.44
GAA P10253 1/20 0.44
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MGLL Q99685 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MET P08581 1/20 0.32
CYP2C19 P33261 1/20 0.32
USP2 O75604 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
SCHEMBL4254051 0.83 POLB (0.54) POLBPKMGAAMETCYP2C19
SCHEMBL3316587 0.78 CA1 (0.55) POLBPKMGAACA1CA2
SCHEMBL28018957 0.78 PKM (0.50) POLBPKMGAACYP2C19ALDH1A1
SCHEMBL12419386 0.74 CA2 (0.58) PKMENPP2CA1CA2MGLL
SCHEMBL28977118 0.71 AKR1C3 (0.56) POLBPKMGAAAKR1C3AKR1C1
SCHEMBL12266126 0.69 PARL (0.43) PKMENPP2CA1CA2CA4
SCHEMBL22558324 0.67 CA2 (0.58) POLBPKMCA1CA2CA12
SCHEMBL28392879 0.67 POLB (0.40) POLBPKMGAAMETCYP2C19
SCHEMBL540011 0.67 NOTUM (0.58) POLBENPP2GAAMGLLCA4
SCHEMBL30352605 0.66 POLB (0.51) POLBPKMGAAMETCYP2C19

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