SCHEMBL2554826

SCHEMBL2554826

COc1ccc(C=O)c(OCc2sccc2Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
HDAC8 Q9BY41 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MAOB P27338 2/20 0.38
PRKDC P78527 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2556665 0.90 RAB9A (0.45) ALDH1A1TRIM24TYRTRIM33L3MBTL1
SCHEMBL29951423 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL2557096 0.79 ALDH1A1 (0.54) ALDH1A1TRIM24TYRTRIM33HDAC8
SCHEMBL29951898 0.76 PTGDR2 (0.52) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL29956698 0.76 ALDH1A1 (0.62) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL2559995 0.76 ALDH1A1 (0.55) ALDH1A1TRIM24TRIM33LMNAMAPT
SCHEMBL2560686 0.75 SRC (0.45) ALDH1A1L3MBTL1LMNAMAPTHPGD
SCHEMBL2560249 0.74 KDM4E (0.39) ALDH1A1MAPTHPGDSMN1; SMN2ERN1
SCHEMBL7974085 0.73 MAOB (0.60) ALDH1A1TRIM24TYRTRIM33HDAC8
SCHEMBL8447028 0.73 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33HDAC8

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