SCHEMBL2560741

SCHEMBL2560741

O=Cc1c(-c2ccc(F)cc2F)nn(-c2cccc(F)c2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
MAPK14 Q16539 7/20 0.35
MAPK13 O15264 5/20 0.35
MAPK12 P53778 5/20 0.35
MAPK11 Q15759 5/20 0.35
KCNH2 Q12809 1/20 0.35
MPI P34949 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
RORC P51449 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL2559746 0.92 TRPV1 (0.39) ESR1IDO1TDO2MAPK14MAPK13
SCHEMBL2561033 0.91 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL2551849 0.90 IDO1 (0.40) ESR1IDO1TDO2MPIFAAH
SCHEMBL15332463 0.90 MAPK14 (0.32) ESR1IDO1TDO2MAPK14MAPK13
SCHEMBL15333169 0.89 MAPK14 (0.37) IDO1TDO2MAPK14MAPK13MAPK12
SCHEMBL15330137 0.88 ESR1 (0.39) ESR1IDO1TDO2MAPK14FAAH
SCHEMBL15330684 0.88 ESR1 (0.39) ESR1IDO1TDO2MAPK14MAPK13
SCHEMBL15331817 0.88 IDO1 (0.36) ESR1IDO1TDO2MAPK14MAPK13
SCHEMBL2557819 0.87 IDO1 (0.42) ESR1IDO1TDO2FAAHMGLL
SCHEMBL2557976 0.86 IDO1 (0.39) ESR1IDO1TDO2MAPK14MPI

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