SCHEMBL2560503

SCHEMBL2560503

C=C(Br)COc1ccccc1C=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.65
ALDH1A1 P00352 8/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SRC P12931 2/20 0.46
KMT2A Q03164 6/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL9979665 0.86 PTGDR2 (0.69) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2561249 0.83 PTGDR2 (0.65) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL8389278 0.83 PTGDR2 (0.65) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2187687 0.80 PTGDR2 (0.66) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6108015 0.80 PTGDR2 (0.61) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2556401 0.79 PTGDR2 (0.70) PTGDR2ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL354835 0.79 PTGDR2 (1.00) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2556100 0.79 SRC (0.54) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2556226 0.78 PTGDR2 (0.49) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL15330205 0.78 PTGDR2 (0.49) PTGDR2ALDH1A1HPGDKMT2ALMNA

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