SCHEMBL2563609

SCHEMBL2563609

COc1cc(C=O)cc(Cl)c1OCC(=O)NCC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 4/20 0.48
KDM4E B2RXH2 4/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 2/20 0.42
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 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
SCHEMBL2558921 0.88 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTKDM4ETHRB
SCHEMBL2559587 0.87 ALDH1A1 (0.64) ALDH1A1L3MBTL1MAPTKDM4ETHRB
SCHEMBL2560562 0.85 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTKDM4ETHRB
SCHEMBL2553581 0.84 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTKDM4ETHRB
SCHEMBL15329949 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTKDM4ETHRB
SCHEMBL2560442 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTKDM4ETHRB
SCHEMBL15333341 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPTKDM4EMAPK1
SCHEMBL29955369 0.80 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTKDM4EMAPK1
SCHEMBL15331959 0.80 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EMAPK1POLB
SCHEMBL29957827 0.80 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBSMN1; SMN2

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