SCHEMBL2561852

SCHEMBL2561852

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 4/20 0.48
TSHR P16473 3/20 0.47
LMNA P02545 3/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ORAI1 Q96D31 1/20 0.43
RAB9A P51151 3/20 0.41
ERN1 O75460 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL2559239 0.90 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1HPGDTSHR
SCHEMBL10387979 0.87 HPGD (0.56) ALDH1A1MAPTL3MBTL1HPGDTSHR
SCHEMBL15330011 0.87 TSHR (0.50) ALDH1A1MAPTL3MBTL1HPGDTSHR
SCHEMBL2562001 0.86 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1HPGDTSHR
SCHEMBL2560069 0.86 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1HPGDTSHR
SCHEMBL2562281 0.86 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1HPGDTSHR
SCHEMBL2562835 0.84 ALDH1A1 (0.66) ALDH1A1MAPTL3MBTL1HPGDTSHR
SCHEMBL2558838 0.83 SMN1; SMN2 (0.56) ALDH1A1MAPTL3MBTL1HPGDTSHR
SCHEMBL2557983 0.81 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1HPGDTSHR
SCHEMBL11781754 0.81 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1HPGDUSP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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