SCHEMBL2553602

SCHEMBL2553602

COc1cc(C=O)c([N+](=O)[O-])cc1OCCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
MAPT P10636 6/20 0.68
KDM4E B2RXH2 3/20 0.68
CYP3A4 P08684 2/20 0.68
ALOX15 P16050 1/20 0.68
PRKDC P78527 1/20 0.68
HSD17B10 Q99714 1/20 0.68
LMNA P02545 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ERN1 O75460 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 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
SCHEMBL4185655 0.94 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2557444 0.89 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL14439519 0.89 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2559051 0.87 MAPT (0.71) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL27118585 0.86 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL28629055 0.85 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL3942989 0.85 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL5926044 0.84 MAPT (0.63) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10318263 0.84 ALDH1A1 (0.75) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10320082 0.84 ALDH1A1 (0.75) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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