SCHEMBL2562001

SCHEMBL2562001

CNC(=O)COc1c(Cl)cc(Cl)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ACLY P53396 1/20 0.44
ORAI1 Q96D31 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ERN1 O75460 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL2561852 0.86 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1ORAI1SMN1; SMN2
SCHEMBL15331691 0.86 ORAI1 (0.48) ALDH1A1MAPTL3MBTL1ORAI1ERN1
SCHEMBL2558838 0.85 SMN1; SMN2 (0.56) ALDH1A1MAPTL3MBTL1ORAI1SMN1; SMN2
SCHEMBL2559239 0.84 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1ORAI1ERN1
SCHEMBL2557983 0.83 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1ORAI1SMN1; SMN2
SCHEMBL2562281 0.83 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1ORAI1SMN1; SMN2
SCHEMBL2560069 0.83 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1ORAI1SMN1; SMN2
SCHEMBL2556737 0.82 TDP1 (0.49) ALDH1A1MAPTL3MBTL1ACLYORAI1
SCHEMBL2562835 0.81 ALDH1A1 (0.66) ALDH1A1MAPTL3MBTL1ORAI1SMN1; SMN2
SCHEMBL2556693 0.81 ATF4 (0.52) ALDH1A1MAPTL3MBTL1SMN1; SMN2LMNA

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