SCHEMBL2557736

SCHEMBL2557736

C=C(Br)COc1c(Cl)cc(Cl)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.46
ERN1 O75460 5/20 0.45
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
CCR5 P51681 1/20 0.35
LMNA P02545 1/20 0.34
PTPN1 P18031 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL29956855 0.86 ORAI1 (0.47) ORAI1ERN1ALDH1A1L3MBTL1MAPT
SCHEMBL2556737 0.81 TDP1 (0.49) ORAI1ERN1ALDH1A1L3MBTL1MAPT
SCHEMBL2556053 0.80 ALDH1A1 (0.53) ORAI1ERN1ALDH1A1L3MBTL1MAPT
SCHEMBL5882741 0.77 ALDH1A1 (0.46) ORAI1ERN1ALDH1A1L3MBTL1MAPT
SCHEMBL2562001 0.77 ALDH1A1 (0.48) ORAI1ERN1ALDH1A1L3MBTL1MAPT
SCHEMBL11781754 0.77 ALDH1A1 (0.57) ORAI1ERN1ALDH1A1L3MBTL1MAPT
SCHEMBL5883224 0.76 ORAI1 (0.56) ORAI1ERN1ALDH1A1L3MBTL1MAPT
SCHEMBL5881855 0.76 ORAI1 (0.49) ORAI1ERN1ALDH1A1L3MBTL1MAPT
SCHEMBL15330205 0.76 PTGDR2 (0.49) ERN1ALDH1A1MAPTTDP1LMNA
SCHEMBL8189636 0.76 ORAI1 (0.51) ORAI1ERN1ALDH1A1L3MBTL1TDP1

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