SCHEMBL2561583

SCHEMBL2561583

CC(C)c1ccc(-c2[nH]c3c(F)c(F)ccc3c2C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.36
TYR P14679 1/20 0.36
ERN1 O75460 2/20 0.35
MAPK13 O15264 1/20 0.33
GCGR P47871 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
APOL1 O14791 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL15331079 0.86 PARP1 (0.35) APOL1NOS3NOS1NOS2
SCHEMBL15331616 0.85 CNR1 (0.40) TYRERN1MAPK13GCGRMAPK12
SCHEMBL2562293 0.85 PTGS2 (0.36) ERN1APOL1
SCHEMBL2561242 0.85 APOL1 (0.40) MAPK14APOL1
SCHEMBL15330797 0.82 TYR (0.39) TYRERN1MAPK13GCGRMAPK12
SCHEMBL29951548 0.82 MPL (0.33) ERN1GCGRMAPK14APOL1NOS3
SCHEMBL2562664 0.82 MPL (0.33) ERN1GCGRMAPK14APOL1NOS3
SCHEMBL15331517 0.81 PARP1 (0.36) ERN1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2560654 0.80 TYR (0.37) TYRERN1
SCHEMBL2560051 0.80 APOL1 (0.37) TYRERN1MAPK13GCGRMAPK12

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