SCHEMBL14720852

SCHEMBL14720852

CN(C1CCOCC1)S(=O)(=O)Cc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RORC P51449 7/20 0.38
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 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
SCHEMBL14720872 0.78 ALDH1A1 (0.50) HSD17B10KMT2AHTR2AHTR2CMEN1
SCHEMBL14722546 0.72 USP2 (0.45) USP2HPGDHSD17B10RORCPTGDR
SCHEMBL1510278 0.71 MEN1 (0.38) USP2HPGDHSD17B10RORCKMT2A
SCHEMBL1510279 0.71 MEN1 (0.38) USP2HPGDHSD17B10RORCKMT2A
SCHEMBL16826403 0.70 CHIA (0.46) USP2HPGDHSD17B10RORCJAK2
SCHEMBL25353462 0.68 KDM1A (0.38) POLBKMT2AMEN1HTTALDH1A1
SCHEMBL3469273 0.68 HTR2A (0.54) USP2HPGDHSD17B10HTR2AHTR2C
SCHEMBL4770454 0.68 CNR2 (0.49) RORCPOLBTSHRHTTL3MBTL1
SCHEMBL25356320 0.67 KDM1A (0.37) POLBKMT2AMEN1HTT
SCHEMBL25356323 0.66 KDM1A (0.36) POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed