SCHEMBL2559619

SCHEMBL2559619

COc1cc(C=O)c(Cl)cc1OCC(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SNCA P37840 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
PRKDC P78527 1/20 0.41
ERN1 O75460 1/20 0.41

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
SCHEMBL2558934 0.89 ALDH1A1 (0.80) ALDH1A1MAPK1L3MBTL1KDM4EMEN1
SCHEMBL29951681 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2556532 0.83 ALDH1A1 (0.71) ALDH1A1MAPK1L3MBTL1SNCAKDM4E
SCHEMBL6818074 0.82 ALDH1A1 (0.70) ALDH1A1L3MBTL1KDM4EMAPTMEN1
SCHEMBL1049563 0.81 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTALOX15TSHR
SCHEMBL1787396 0.80 ALDH1A1 (0.67) ALDH1A1L3MBTL1KDM4EMAPTALOX15
SCHEMBL2555685 0.79 ALDH1A1 (0.69) ALDH1A1MAPK1SNCAKDM4EMAPT
SCHEMBL3369827 0.77 ALDH1A1 (0.62) ALDH1A1MAPK1L3MBTL1KDM4EMAPT
SCHEMBL29954494 0.75 ALDH1A1 (0.60) ALDH1A1L3MBTL1KDM4EMAPTMEN1
SCHEMBL5881830 0.75 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1KDM4EKMT2A

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