SCHEMBL2553601

SCHEMBL2553601

O=Cc1c(-c2c(F)cccc2F)nn(-c2ccc(F)cc2)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SRC P12931 3/20 0.33
BRAF P15056 3/20 0.33
KDR P35968 3/20 0.33
MAPK14 Q16539 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL2557887 0.91 KMT2A (0.35) DGAT2SRCBRAFKDRALDH1A1
SCHEMBL2563840 0.90 LMNA (0.40) PTGS2POLBNPSR1SRCBRAF
SCHEMBL2559564 0.90 SRC (0.35) IDO1TDO2PTGS1PTGS2POLB
SCHEMBL2558429 0.88 DHODH (0.31)
SCHEMBL2554667 0.87 CA1 (0.32) IDO1TDO2PTGS1PTGS2CA1
SCHEMBL2555953 0.86 IDO1 (0.38) IDO1TDO2PTGS1PTGS2POLB
SCHEMBL2556098 0.85 IDO1 (0.42) IDO1TDO2PTGS1PTGS2POLB
SCHEMBL15329560 0.84 MAPT (0.40) DGAT2POLBKDM4ENPSR1SRC
SCHEMBL15329788 0.83 TRPV1 (0.36) IDO1TDO2POLBKDM4ENPSR1
SCHEMBL2562232 0.83 NPC1 (0.36) MAPK14ALDH1A1LMNAL3MBTL1

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