SCHEMBL2559901

SCHEMBL2559901

NC(=O)COc1ccc(Cl)cc1C=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.50
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.47
PTGDR Q13258 1/20 0.47
ERN1 O75460 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL2558178 0.86 MEN1 (0.50) ALDH1A1MEN1KMT2APTGDR2MAPT
SCHEMBL1714052 0.86 PTGDR2 (0.68) ALDH1A1MEN1KMT2APTGDR2MAPT
SCHEMBL2559381 0.84 MEN1 (0.49) ALDH1A1MEN1KMT2APTGDR2MAPT
SCHEMBL692841 0.83 MAPT (0.67) ALDH1A1MEN1KMT2APTGDR2MAPT
SCHEMBL2557097 0.81 TDP1 (0.47) ALDH1A1MEN1KMT2APTGDR2MAPT
SCHEMBL2562401 0.81 PTGDR2 (0.75) ALDH1A1MEN1KMT2APTGDR2MAPT
SCHEMBL2558209 0.81 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APTGDR2MAPT
SCHEMBL15544882 0.81 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL15330964 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APTGDR2MAPT
SCHEMBL2560314 0.80 SMN1; SMN2 (0.71) ALDH1A1MEN1KMT2AMAPTKDM4E

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