SCHEMBL2554975

SCHEMBL2554975

Cc1noc(C)c1-c1ccc2sc(B(O)O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.54
ERN1 O75460 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MGLL Q99685 1/20 0.45
BRD2 P25440 5/20 0.44
BRD3 Q15059 2/20 0.44
JAK2 O60674 1/20 0.43
CREBBP Q92793 3/20 0.42

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
SCHEMBL2175064 0.74 BRD4 (0.49) BRD4ERN1HDAC3HDAC1HDAC2
SCHEMBL2175188 0.73 BRD4 (0.54) BRD4ERN1BRD2BRD3JAK2
SCHEMBL27314226 0.73 BRD4 (0.80) BRD4ERN1BRD2BRD3JAK2
SCHEMBL15070349 0.72 BRD4 (0.75) BRD4ERN1BRD2BRD3JAK2
SCHEMBL27314227 0.71 BRD4 (0.58) BRD4ERN1HDAC3HDAC1HDAC2
SCHEMBL19231238 0.71 ERN1 (0.53) BRD4ERN1BRD2BRD3JAK2
SCHEMBL19231448 0.70 BRD4 (0.59) BRD4ERN1BRD2BRD3JAK2
SCHEMBL289762 0.70 MGLL (0.58) MGLL
SCHEMBL2558525 0.70 BRD4 (0.42) BRD4ERN1HDAC3HDAC1HDAC2
SCHEMBL15330867 0.69 BRD4 (0.58) BRD4ERN1HDAC1MGLLBRD2

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 7 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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed