SCHEMBL1820048

SCHEMBL1820048

O=c1c2cc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)ccc2[nH]n1CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 3/20 0.46
TP53 P04637 5/20 0.44
PTPN2 P17706 4/20 0.43
PTPN1 P18031 4/20 0.43
PTPN5 P54829 4/20 0.43
HSPD1 P10809 2/20 0.43
HSPE1 P61604 2/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
SLC22A12 Q96S37 2/20 0.42
MAPT P10636 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
PGAM1 P18669 1/20 0.39
FFAR1 O14842 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR9 P51686 1/20 0.38
POLB P06746 1/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL1801399 0.87 TP53 (0.44) ERAP1TP53PTPN2PTPN1PTPN5
SCHEMBL5609111 0.86 TP53 (0.46) ERAP1TP53PTPN2PTPN1PTPN5
SCHEMBL3911560 0.84 PTPN2 (0.45) ERAP1TP53PTPN2PTPN1PTPN5
SCHEMBL3906902 0.75 ERAP1 (0.44) ERAP1TP53PTPN2PTPN1PTPN5
SCHEMBL3906955 0.74 PTPN2 (0.43) ERAP1TP53PTPN2PTPN1PTPN5
SCHEMBL3916191 0.74 PTPN2 (0.43) ERAP1TP53PTPN2PTPN1PTPN5
SCHEMBL1804773 0.73 MEN1 (0.46) LMNATHRBMAPTPKMHTT
SCHEMBL1843321 0.73 FFAR4 (0.43) ERAP1TP53PTPN2PTPN1PTPN5
SCHEMBL3908576 0.73 PTPN2 (0.42) ERAP1TP53PTPN2PTPN1PTPN5
SCHEMBL1812321 0.73 PTPN2 (0.49) ERAP1TP53PTPN2PTPN1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4682207-B2 2011-05-11 JP claimed
EP-1797042-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-20 EP claimed
WO-2006034804-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-06 WO claimed