SCHEMBL1815199

SCHEMBL1815199

O=c1[nH]n(-c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 15/20 0.53
BRD4 O60885 1/20 0.49
CYP2C9 P11712 2/20 0.46
SLC22A6 Q4U2R8 2/20 0.46
SLC22A8 Q8TCC7 2/20 0.46
SLC22A11 Q9NSA0 2/20 0.46
PTPN2 P17706 2/20 0.45
PTPN1 P18031 2/20 0.45
PTPN5 P54829 2/20 0.45
GSPT1 P15170 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL3906718 0.82 SLC22A12 (0.50) SLC22A12BRD4CYP2C9SLC22A6SLC22A8
SCHEMBL3913044 0.81 BRD4 (0.46) SLC22A12BRD4
SCHEMBL1814225 0.81 PTGDR2 (0.46) BRD4
SCHEMBL5615200 0.79 GSPT1 (0.47) BRD4CYP2C9GSPT1DDB1CRBN
SCHEMBL1809299 0.75 PTGDR2 (0.47) BRD4
SCHEMBL1821354 0.73 BRD4 (0.59) BRD4PTPN2PTPN1PTPN5
SCHEMBL3769130 0.72 SLC22A12 (0.70) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL6659042 0.70 SLC22A12 (0.51) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL1461802 0.70 SLC22A12 (0.55) SLC22A12BRD4CYP2C9SLC22A6SLC22A8
SCHEMBL1812383 0.69 SLC22A12 (0.48) SLC22A12

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