SCHEMBL15329705

SCHEMBL15329705

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.44
ORAI1 Q96D31 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.34
EPHX1 P07099 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 2/20 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
SCHEMBL2557590 0.87 ERN1 (0.45) ERN1ORAI1CA1CA2CA9
SCHEMBL15330962 0.83 ERN1 (0.41) ERN1ORAI1ALDH1A1HPGDL3MBTL1
SCHEMBL2559998 0.82 ERN1 (0.41) ERN1ORAI1CA1CA2CA9
SCHEMBL17513194 0.81 ERN1 (0.47) ERN1ORAI1CA1CA2CA9
SCHEMBL2557067 0.80 SMN1; SMN2 (0.57) ERN1ORAI1ALDH1A1HPGDL3MBTL1
SCHEMBL2562612 0.79 ORAI1 (0.43) ERN1ORAI1ALDH1A1TDP1L3MBTL1
SCHEMBL2554190 0.77 TSHR (0.49) ERN1ALDH1A1HPGDCYP1A2GLA
SCHEMBL2562279 0.76 ERN1 (0.38) ERN1ORAI1ALDH1A1TDP1L3MBTL1
SCHEMBL20303456 0.74 ERN1 (0.47) ERN1ORAI1CA1CA2CA9
SCHEMBL32682669 0.74 ERN1 (0.47) ERN1ORAI1CA1CA2CA9

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 5 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