SCHEMBL2553655

SCHEMBL2553655

CC(COc1ccc([N+](=O)[O-])cc1C=O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.46
CCR5 P51681 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL15331896 0.81 ERN1 (0.49) ERN1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2554156 0.81 SRC (0.42) ERN1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL15330091 0.81 ERN1 (0.51) ERN1CCR5CYP2D6MAPK1MAPT
SCHEMBL2562900 0.80 GAA (0.47) ERN1CCR5MAPTALDH1A1SMN1; SMN2
SCHEMBL2557533 0.80 ERN1 (0.50) ERN1CCR5CYP2D6MAPK1MAPT
SCHEMBL2562010 0.80 PTGDR2 (0.58) ERN1CCR5MAPTALDH1A1SMN1; SMN2
SCHEMBL15331122 0.79 KDM4E (0.55) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL15331383 0.78 ALDH1A1 (0.48) CYP2D6MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2562538 0.78 ERN1 (0.46) ERN1CYP2D6MAPK1MAPTALDH1A1
SCHEMBL4998777 0.77 MAPT (0.56) ERN1CYP2D6MAPK1MAPTALDH1A1

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