SCHEMBL2556401

SCHEMBL2556401

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

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.70
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 1/20 0.46
HPGD P15428 5/20 0.44
ALDH1A1 P00352 3/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2561499 0.86 PTGDR2 (0.68) PTGDR2TSHRL3MBTL1POLBCTDSP1
SCHEMBL2556226 0.83 PTGDR2 (0.49) PTGDR2TSHRL3MBTL1ERN1HPGD
SCHEMBL15330205 0.83 PTGDR2 (0.49) PTGDR2TSHRTDP1ERN1HPGD
SCHEMBL2879909 0.83 PTGDR2 (1.00) PTGDR2TSHRL3MBTL1POLBCTDSP1
SCHEMBL29952214 0.83 PTGDR2 (1.00) PTGDR2TSHRL3MBTL1POLBCTDSP1
SCHEMBL2562401 0.81 PTGDR2 (0.75) PTGDR2TSHRL3MBTL1POLBCTDSP1
SCHEMBL8460565 0.81 PTGDR2 (0.75) PTGDR2TSHRL3MBTL1POLBCTDSP1
SCHEMBL15332229 0.81 KDM4E (0.58) PTGDR2ERN1ALDH1A1KMT2AMEN1
SCHEMBL2554830 0.80 KDM4E (0.48) PTGDR2TSHRL3MBTL1POLBERN1
SCHEMBL4478065 0.79 PTGDR2 (0.67) PTGDR2TSHRL3MBTL1POLBCTDSP1

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