SCHEMBL7861160

SCHEMBL7861160

O=CCc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
XBP1 P17861 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.38
NOTUM Q6P988 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 3/20 0.37
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
DAO P14920 1/20 0.36
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35

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
SCHEMBL6858263 0.84 RXRA (0.47) NOTUMRXRARXRBRXRGDAO
SCHEMBL2299901 0.84 XDH (0.43) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL2094822 0.81 MAPT (0.41) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL2089711 0.81 NOTUM (0.39) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL2091883 0.80 IDO1 (0.41) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL5536299 0.80 ADH1B (0.42) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL30486158 0.79 PTPN7 (0.47) NPSR1EPHX1DAOPTPN7DUSP3
SCHEMBL250310 0.79 PTPN7 (0.47) NPSR1EPHX1DAOPTPN7DUSP3
SCHEMBL1639279 0.79 NOTUM (0.40) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL30626572 0.79 NOTUM (0.40) MAPTLMNAMEN1KMT2ANPSR1

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