SCHEMBL2562010

SCHEMBL2562010

CC(COc1ccc(Br)cc1C=O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.58
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
TSHR P16473 3/20 0.42
POLB P06746 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 3/20 0.42
ERN1 O75460 1/20 0.41
CCR5 P51681 7/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 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
SCHEMBL2554156 0.85 SRC (0.42) PTGDR2TSHRTDP1L3MBTL1ERN1
SCHEMBL2562900 0.84 GAA (0.47) TSHRHPGDERN1CCR5MEN1
SCHEMBL1928505 0.83 PTGDR2 (0.59) PTGDR2PLA2G1BATG4BTSHRPOLB
SCHEMBL15331122 0.83 KDM4E (0.55) PTGDR2ERN1MEN1KMT2AALDH1A1
SCHEMBL2562178 0.80 ALDH1A1 (0.54) PTGDR2HPGDMEN1KMT2AALDH1A1
SCHEMBL2553655 0.80 ERN1 (0.46) TDP1HPGDERN1CCR5MEN1
SCHEMBL27796180 0.79 PTGDR2 (0.55) PTGDR2PLA2G1BATG4BTSHRPOLB
SCHEMBL2555552 0.79 PTGDR2 (0.51) PTGDR2PLA2G1BATG4BTSHRPOLB
SCHEMBL2562401 0.79 PTGDR2 (0.75) PTGDR2PLA2G1BATG4BTSHRPOLB
SCHEMBL15331450 0.78 ALDH1A1 (0.45) TSHRMEN1KMT2AALDH1A1LMNA

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