SCHEMBL7862422

SCHEMBL7862422

Cc1cc(C(C=O)c2cccc(F)c2)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ACHE P22303 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
AOC3 Q16853 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL7917545 0.82 HDAC4 (0.47) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL7861158 0.81 HDAC4 (0.42) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL7828556 0.80 MEN1 (0.34) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL1515851 0.77 IDO1 (0.47) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL7818627 0.73 AKR1C3 (0.44) CES2CES1
SCHEMBL4973716 0.72 SLC6A4 (0.38) IDO1TDO2MEN1MAPTKMT2A
SCHEMBL3403146 0.72 CYP11B1 (0.41) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL3905843 0.71 CES2 (0.44) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL2302859 0.71 CHRNA1 (0.34) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL28791674 0.71 CHRNA1 (0.37) MEN1NPC1MAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO disclosed