SCHEMBL2557720

SCHEMBL2557720

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
ESR1 P03372 1/20 0.38
DHODH Q02127 6/20 0.35
KCNN4 O15554 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
MPI P34949 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PTPN1 P18031 1/20 0.32
DHFR P00374 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 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
SCHEMBL15332298 0.91 ESR1 (0.40) TP53ESR1DHODH
SCHEMBL2553216 0.91 ESR1 (0.37) TP53ESR1KCNN4
SCHEMBL2555494 0.90 NPC1 (0.38) DHODHKCNN4MAPTL3MBTL1ALDH1A1
SCHEMBL2562989 0.90 KCNN4 (0.36) TP53ESR1DHODHKCNN4MPI
SCHEMBL15331283 0.90 ESR1 (0.42) TP53ESR1
SCHEMBL15329609 0.90 MAPK13 (0.40) TP53ESR1KCNN4
SCHEMBL29951228 0.89 KCNN4 (0.42) KCNN4
SCHEMBL15330668 0.88 MAPK14 (0.38) ESR1KCNN4MPI
SCHEMBL2560532 0.86 NPC1 (0.39) TP53ESR1DHODHL3MBTL1
SCHEMBL2561068 0.86 ESR1 (0.36) TP53ESR1L3MBTL1MPI

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