SCHEMBL2559998

SCHEMBL2559998

CCC(Oc1c(Cl)cc(Cl)cc1C=O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.41
ORAI1 Q96D31 1/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
CCR5 P51681 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2562279 0.83 ERN1 (0.38) ERN1ORAI1ALDH1A1L3MBTL1CCR5
SCHEMBL15329705 0.82 ERN1 (0.44) ERN1ORAI1ALDH1A1L3MBTL1LMNA
SCHEMBL2560273 0.78 MEN1 (0.43) ERN1ALDH1A1MEN1KMT2APOLB
SCHEMBL2562612 0.76 ORAI1 (0.43) ERN1ORAI1ALDH1A1L3MBTL1LMNA
SCHEMBL15330534 0.75 ALDH1A1 (0.51) ALDH1A1L3MBTL1HTTTDP1CYP1A2
SCHEMBL17513194 0.75 ERN1 (0.47) ERN1ORAI1ALDH1A1L3MBTL1TDP1
SCHEMBL2557590 0.74 ERN1 (0.45) ERN1ORAI1ALDH1A1LMNATDP1
SCHEMBL2557067 0.74 SMN1; SMN2 (0.57) ERN1ORAI1ALDH1A1L3MBTL1LMNA
SCHEMBL2556053 0.73 ALDH1A1 (0.53) ERN1ORAI1ALDH1A1L3MBTL1LMNA
SCHEMBL2557034 0.71 SRC (0.44) ALDH1A1L3MBTL1

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