SCHEMBL29954766

SCHEMBL29954766

COC(=O)c1ccc2cc(B(O)O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PARP1 P09874 3/20 0.46
RAB9A P51151 2/20 0.45
CREBBP Q92793 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL24671629 1.00 KIF11 (0.49) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL29955256 0.88 CREBBP (0.48) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL5960261 0.81 RAB9A (0.36) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL6421763 0.80 KIF11 (0.53) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL30460215 0.80 KDM4E (0.61) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL5881610 0.80 KDM4E (0.61) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL20875018 0.78 KIF11 (0.51) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL6424303 0.77 KIF11 (0.50) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL28415588 0.77 EIF4A3 (0.55) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL15046545 0.76 KIF11 (0.53) KIF11KDM4EALDH1A1LMNAHTT

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