SCHEMBL2556019

SCHEMBL2556019

NC(=O)COc1c(Br)cccc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
MAPK1 P28482 1/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
HSD11B1 P28845 1/20 0.34
CYP2A6 P11509 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL2561402 0.86 PTGDR2 (0.57) ALDH1A1PTGDR2CA1CA2L3MBTL1
SCHEMBL2558290 0.85 ALDH1A1 (0.38) ALDH1A1MAPK1PTGDR2CA1CA2
SCHEMBL4483469 0.85 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1HTTKDM4E
SCHEMBL2553883 0.81 CA1 (0.39) ALDH1A1MAPK1PTGDR2CA1CA2
SCHEMBL2559156 0.81 ALDH1A1 (0.43) ALDH1A1MAPK1PTGDR2CA1CA2
SCHEMBL2561488 0.80 CA1 (0.38) ALDH1A1MAPK1PTGDR2CA1CA2
SCHEMBL28921813 0.80 ALDH1A1 (0.60) ALDH1A1MAPK1L3MBTL1KDM4ECYP1A2
SCHEMBL15330537 0.79 SRC (0.55) ALDH1A1MAPK1PTGDR2CA1CA2
SCHEMBL2553529 0.79 CA1 (0.38) ALDH1A1MAPK1PTGDR2CA1CA2
SCHEMBL15330937 0.79 ALDH1A1 (0.45) ALDH1A1MAPK1HTTKDM4EPKM

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