SCHEMBL15330995

SCHEMBL15330995

Cc1cc(C)n(-c2cc(Cl)ccc2B(O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KCNN3 Q9UGI6 1/20 0.41
ENPP3 O14638 1/20 0.41
ALPL P05186 1/20 0.41
XIAP P98170 1/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL2561176 0.84 KDM4E (0.51) KDM4EGAATSHRMAPTHTT
SCHEMBL17255683 0.81 KDM4E (0.66) KDM4EGAATSHRMAPTNPC1
SCHEMBL28171784 0.80 KDM4E (0.51) KDM4EGAATSHRMAPTNPC1
SCHEMBL15333067 0.79 KDM4E (0.46) KDM4EGAATSHRMAPTHTT
Hydrochloric Acid SCHEMBL29956657 0.78 KDM4E (0.45) KDM4EGAATSHRMAPTHTT
SCHEMBL17255695 0.78 KDM4E (0.66) KDM4EGAATSHRMAPTNPC1
SCHEMBL3685546 0.77 KDM4E (0.51) KDM4EGAATSHRMAPTNPC1
SCHEMBL15442925 0.75 POLB (0.49) KDM4EGAATSHRMAPTHTT
SCHEMBL17546186 0.74 KDM4E (0.51) KDM4EGAATSHRMAPTHTT
SCHEMBL12205259 0.72 MAPT (0.61) GAAMAPTHTTSMN1; SMN2ALDH1A1

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 5 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed