SCHEMBL2558844

SCHEMBL2558844

OB(O)c1ccc(C(F)(F)F)nc1-c1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.34
PDE2A O00408 2/20 0.33
PDE10A Q9Y233 2/20 0.33
MAPK1 P28482 1/20 0.31
AHR P35869 1/20 0.31
NT5E P21589 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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 1.00 PDPK1 (0.34) PDPK1PDE2APDE10AMAPK1AHR
SCHEMBL2558046 0.78 MAPT (0.39) MAPK1AHR
SCHEMBL2552745 0.75 HSD11B1 (0.41) MAPK1TRPV1
SCHEMBL1040845 0.74 MGLL (0.32) PDE2APDE10ANT5ETRPV1
SCHEMBL29951212 0.74 MGLL (0.32) PDE2APDE10ANT5ETRPV1
SCHEMBL2557080 0.73 GLP1R (0.33) MAPK1AHR
SCHEMBL21352384 0.72 HSD11B1 (0.38) PDE10ATRPV1PTGS1PTGS2
SCHEMBL2557001 0.72 AHR (0.32) MAPK1AHR
SCHEMBL15329974 0.72 LMNA (0.31)
SCHEMBL2559188 0.71 MGLL (0.43)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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