SCHEMBL2554515

SCHEMBL2554515

Cc1cc(C)c2c(C=O)c(-c3c(F)cccc3F)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
DHODH Q02127 1/20 0.36
GRIN2D O15399 3/20 0.33
GRIN3B O60391 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN3A Q8TCU5 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AHR P35869 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
MAPK14 Q16539 1/20 0.33
PARP1 P09874 1/20 0.32
TNKS O95271 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
SCHEMBL2561650 0.86 DHODH (0.39) ERN1DHODHGRIN2DGRIN3BGRIN1
SCHEMBL15332499 0.85 TNKS (0.41) ERN1DHODHGRIN2DGRIN3BGRIN1
SCHEMBL29953545 0.82 TNKS2 (0.44) ERN1DHODHMAPTKDM4EMAPK14
SCHEMBL15331877 0.80 ERN1 (0.38) ERN1DHODHGRIN2DGRIN3BGRIN1
SCHEMBL29955999 0.80 TNKS2 (0.40) ERN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29952426 0.80 LMNA (0.40) ERN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2554088 0.79 ALDH1A1 (0.39) ERN1DHODHGRIN2DGRIN3BGRIN1
SCHEMBL15330961 0.79 ERN1 (0.37) ERN1DHODHGRIN2DGRIN3BGRIN1
SCHEMBL2555325 0.79 AHR (0.35) ERN1MAPTMEN1KMT2AAHR
SCHEMBL15332851 0.79 ERN1 (0.38) ERN1DHODHGRIN2DGRIN3BGRIN1

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