SCHEMBL2557533

SCHEMBL2557533

NC(=O)CCOc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.50
MAPT P10636 5/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 2/20 0.45
CCR5 P51681 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL15330091 0.88 ERN1 (0.51) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL2559153 0.83 CYP2D6 (0.47) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL7916806 0.82 CYSLTR2 (0.53) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL29956643 0.81 RAB9A (0.46) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL6021915 0.81 PTGDR2 (0.61) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL215546 0.80 CYP19A1 (0.54) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL9824820 0.80 MAPT (0.52) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL824063 0.80 MAPT (0.52) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL2552640 0.80 MAPT (0.48) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL2553655 0.80 ERN1 (0.46) ERN1MAPTALDH1A1KMT2AMEN1

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