SCHEMBL2553216

SCHEMBL2553216

O=Cc1c(-c2cccc(F)c2F)nn(-c2cc(F)ccc2F)c1Br

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.35
RIPK1 Q13546 1/20 0.32
KCNN4 O15554 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 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
SCHEMBL15329704 0.91 NPC1 (0.34) KCNN4PIK3R1PIK3CA
SCHEMBL2557720 0.91 TP53 (0.40) ESR1TP53KCNN4
SCHEMBL2559754 0.88 KCNN4 (0.40) KCNN4
SCHEMBL2561068 0.87 ESR1 (0.36) ESR1TP53RIPK1
SCHEMBL15332298 0.87 ESR1 (0.40) ESR1TP53RIPK1
SCHEMBL15331283 0.85 ESR1 (0.42) ESR1TP53RIPK1PIK3R1PIK3CA
SCHEMBL15329609 0.85 MAPK13 (0.40) ESR1TP53RIPK1KCNN4
SCHEMBL2557819 0.85 IDO1 (0.42) ESR1PIK3R1PIK3CA
SCHEMBL2555953 0.84 IDO1 (0.38)
SCHEMBL2562989 0.83 KCNN4 (0.36) ESR1TP53KCNN4

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