SCHEMBL4540174

SCHEMBL4540174

O=c1[nH]n(Cc2ccc(Cl)cc2)c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.52
HTR6 P50406 8/20 0.46
PARP1 P09874 1/20 0.44
F2 P00734 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
PFKFB3 Q16875 1/20 0.43
BRD4 O60885 3/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
TSHR P16473 1/20 0.42
PGR P06401 1/20 0.42

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
SCHEMBL4536214 0.91 NR1I2 (0.52) NR1I2HTR6PARP1F2ALDH1A1
SCHEMBL1809645 0.87 PTGES2 (0.46) NR1I2ALDH1A1BRD4PGR
SCHEMBL3904615 0.85 GSPT1 (0.43) NR1I2ALDH1A1BRD4
SCHEMBL4540841 0.84 NR1I2 (0.47) NR1I2HTR6ALDH1A1HTTPFKFB3
SCHEMBL3908715 0.82 ITGA1 (0.51) NR1I2ALDH1A1BRD4
SCHEMBL3903016 0.80 NR1I2 (0.48) NR1I2ALDH1A1BRD4
SCHEMBL3906659 0.80 PTGES2 (0.47) NR1I2ALDH1A1BRD4PGR
SCHEMBL1819641 0.79 PGR (0.57) BRD4PTPN2PTPN1PGR
SCHEMBL3905782 0.79 GSPT1 (0.41) NR1I2ALDH1A1BRD4
SCHEMBL3918595 0.78 GSPT1 (0.42) NR1I2ALDH1A1BRD4

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
EP-1797042-B1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-01-07 EP claimed