SCHEMBL16237134

SCHEMBL16237134

COC(=O)c1[nH]cc(C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.39
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
CREBBP Q92793 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
XDH P47989 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
FUT7 Q11130 1/20 0.34
NOTUM Q6P988 1/20 0.34
CYP3A4 P08684 1/20 0.34
ACHE P22303 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL11287001 0.80 NR4A2 (0.41) NR4A2HTTTDP1CREBBPL3MBTL1
SCHEMBL30725409 0.79 NR4A2 (0.37) NR4A2HTTTDP1CREBBPL3MBTL1
SCHEMBL20439866 0.78 KDM4E (0.44) NR4A2HTTTDP1CREBBPL3MBTL1
SCHEMBL16236707 0.77 TDP1 (0.39) NR4A2HTTTDP1CREBBPL3MBTL1
SCHEMBL16883380 0.77 KDM4E (0.40) NR4A2HTTTDP1CREBBPL3MBTL1
SCHEMBL13759885 0.74 KDM4E (0.41) NR4A2HTTTDP1CREBBPL3MBTL1
SCHEMBL31210653 0.73 XDH (0.42) NR4A2HTTTDP1CREBBPL3MBTL1
SCHEMBL16116224 0.72 NR4A2 (0.37) NR4A2HTTTDP1CREBBPL3MBTL1
SCHEMBL31211387 0.72 TPMT (0.39) NR4A2HTTTDP1CREBBPL3MBTL1
SCHEMBL2171883 0.72 KDM4E (0.42) NR4A2HTTTDP1CREBBPL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317286-A1 CYCLIZED SULFAMOYLARYLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2018-05-09 EP disclosed
WO-2017001655-A1 CYCLIZED SULFAMOYLARYLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2017-01-05 WO disclosed
EP-2997011-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2016-03-23 EP disclosed
WO-2014184350-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN R&D IRELAND (IE) 2014-11-20 WO disclosed