SCHEMBL2553529

SCHEMBL2553529

CC(COc1c(Br)cccc1C=O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
SRC P12931 1/20 0.33
SCN4A P35499 7/20 0.33
LMNA P02545 3/20 0.33
CYP1A2 P05177 3/20 0.33
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
NFKB1 P19838 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KCNK3 O14649 1/20 0.33
CACNA1F O60840 1/20 0.33
KCNK2 O95069 1/20 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
SCHEMBL2560577 0.83 SRC (0.50) CA1CA2ALDH1A1PTGDR2SRC
SCHEMBL15331468 0.82 KMT2A (0.41) CA1CA2ALDH1A1MAPK1PTGDR2
SCHEMBL15331103 0.79 CA1 (0.41) CA1CA2ALDH1A1MAPK1SRC
SCHEMBL2556019 0.79 ALDH1A1 (0.51) CA1CA2ALDH1A1MAPK1PTGDR2
SCHEMBL2562178 0.77 ALDH1A1 (0.54) ALDH1A1PTGDR2SRCLMNACYP1A2
SCHEMBL2558290 0.76 ALDH1A1 (0.38) CA1CA2ALDH1A1MAPK1PTGDR2
SCHEMBL15330946 0.76 CA1 (0.38) CA1CA2ALDH1A1MAPK1PTGDR2
SCHEMBL10265246 0.75 LMNA (0.50) CA1CA2ALDH1A1SRCLMNA
SCHEMBL2561402 0.74 PTGDR2 (0.57) CA1CA2ALDH1A1PTGDR2LMNA
SCHEMBL8818258 0.73 SCN4A (0.61) SCN4ALMNACYP1A2SCN1ASCN5A

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