SCHEMBL2556439

SCHEMBL2556439

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.50
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
CCR5 P51681 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
TTR P02766 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL15331190 0.86 ERN1 (0.50) ERN1ALDH1A1MAPTPTGDR2CCR5
SCHEMBL6021915 0.83 PTGDR2 (0.61) ERN1ALDH1A1MAPTPTGDR2CYP2D6
SCHEMBL15330091 0.82 ERN1 (0.51) ERN1ALDH1A1MAPTPTGDR2CCR5
SCHEMBL9824820 0.80 MAPT (0.52) ERN1ALDH1A1MAPTCCR5CYP2D6
SCHEMBL3997757 0.80 ALDH1A1 (0.60) ERN1ALDH1A1MAPTPTGDR2CYP2D6
SCHEMBL2561464 0.79 ALDH1A1 (0.51) ERN1ALDH1A1MAPTPTGDR2CYP2D6
SCHEMBL4321242 0.79 ERN1 (0.50) ERN1ALDH1A1MAPTCCR5CYP2D6
SCHEMBL11784170 0.79 ERN1 (0.45) ERN1ALDH1A1MAPTPTGDR2CYP2D6
SCHEMBL2556401 0.79 PTGDR2 (0.70) ERN1ALDH1A1MAPTPTGDR2SMN1; SMN2
SCHEMBL4998777 0.79 MAPT (0.56) ERN1ALDH1A1MAPTCYP2D6MAPK1

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