SCHEMBL2558046

SCHEMBL2558046

Cc1ccc(B(O)O)c(-c2cc(Cl)c(Cl)cc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
AHR P35869 2/20 0.35
MAPK1 P28482 1/20 0.35
DCTPP1 Q9H773 1/20 0.34
S100A4 P26447 1/20 0.33
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
KMT2A Q03164 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
SCHEMBL29956053 0.78 PDPK1 (0.34) AHRMAPK1
SCHEMBL2559292 0.73 AHR (0.35) AHRMAPK1DCTPP1HSP90AA1HSP90AB1
SCHEMBL2553208 0.72 AHR (0.34) AHRMAPK1KDM4E
SCHEMBL1922455 0.70 CCR1 (0.37) MAPTMAPK1KDM4EPKMHTT
SCHEMBL2561745 0.70 SMO (0.39) AHRMAPK1KMT2A
SCHEMBL2557977 0.68 AHR (0.33) MAPTAHRMAPK1KDM4E
SCHEMBL21352397 0.68 JAK2 (0.36) KDM4E
SCHEMBL29952149 0.67 S100A4 (0.32) S100A4
SCHEMBL2558443 0.67 HSD11B1 (0.44) MAPK1
SCHEMBL2556632 0.67 HSP90AA1 (0.40) AHRMAPK1DCTPP1LMNAHSP90AA1

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