SCHEMBL2562989

SCHEMBL2562989

O=Cc1c(-c2cc(F)ccc2F)nn(-c2ccccc2F)c1Br

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.36
DHODH Q02127 2/20 0.35
MPI P34949 1/20 0.34
TP53 P04637 1/20 0.34
SCN9A Q15858 7/20 0.33
SCN5A Q14524 4/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
ESR1 P03372 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL15332298 0.91 ESR1 (0.40) DHODHTP53SCN9AESR1
SCHEMBL2557720 0.90 TP53 (0.40) KCNN4DHODHMPITP53ESR1
SCHEMBL15330668 0.90 MAPK14 (0.38) KCNN4MPISCN9ASCN5ASCN2A
SCHEMBL2562866 0.90 L3MBTL1 (0.35) TP53SCN9ASCN5AESR1P2RX7
SCHEMBL2558574 0.90 MAPK11 (0.39) KCNN4TP53SCN9AP2RX7
SCHEMBL2555658 0.90 P2RX7 (0.37) KCNN4MPISCN9AP2RX7
SCHEMBL29951228 0.89 KCNN4 (0.42) KCNN4
SCHEMBL2555494 0.88 NPC1 (0.38) KCNN4DHODH
SCHEMBL2560310 0.87 MAPK13 (0.41) KCNN4TP53P2RX7
SCHEMBL29951687 0.86 S1PR1 (0.37) DHODH

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