SCHEMBL5319583

SCHEMBL5319583

O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cccc4nonc34)cc2Cl)c(CC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NFKBIA P25963 2/20 0.38
RELA Q04206 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ARNT P27540 2/20 0.36
EPAS1 Q99814 2/20 0.36
DDX3X O00571 1/20 0.36
CCR2 P41597 2/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
SCN9A Q15858 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TBXA2R P21731 1/20 0.35
POLB P06746 2/20 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
SCHEMBL6391336 0.89 CCR2 (0.44) CRHBPCRHR2NFKBIARELAMEN1
SCHEMBL5319580 0.87 CRHBP (0.38) CRHBPCRHR2NFKBIARELAMEN1
SCHEMBL5284276 0.83 CYP2C9 (0.42) CRHBPCRHR2NFKBIARELAMEN1
SCHEMBL6391201 0.75 MEN1 (0.45) CRHBPCRHR2NFKBIARELAMEN1
SCHEMBL5246316 0.70 MEN1 (0.49) CRHBPCRHR2NFKBIARELAMEN1
SCHEMBL1471553 0.69 CRHBP (0.50) CRHBPCRHR2MEN1KMT2AHPGD
SCHEMBL1471216 0.69 CYP2C9 (0.47) CRHBPCRHR2MEN1KMT2AHPGD
SCHEMBL6391130 0.68 POLB (0.48) MEN1KMT2AHPGDL3MBTL1CCR2
SCHEMBL1472050 0.68 CCR2 (0.48) CRHBPCRHR2MEN1KMT2AHPGD
SCHEMBL1471622 0.68 CRHBP (0.51) CRHBPCRHR2MEN1KMT2AHPGD

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-1758873-A1 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed