SCHEMBL8060240

SCHEMBL8060240

O=[N+]([O-])c1ccc(-c2sc(NS(=O)(=O)C(F)(F)F)nc2-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.64
CDC25B P30305 9/20 0.64
DUSP3 P51452 9/20 0.64
KMT2A Q03164 7/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 1/20 0.57
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
USP2 O75604 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
THRB P10828 1/20 0.47
KDM1A O60341 1/20 0.46

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
SCHEMBL8066360 0.88 CDC25B (0.59) PTPN1CDC25BDUSP3KMT2AMAPT
SCHEMBL8056899 0.85 PTPN1 (0.54) PTPN1CDC25BDUSP3KMT2AMAPT
SCHEMBL8066039 0.84 CDC25B (0.53) PTPN1CDC25BDUSP3KMT2AMAPT
SCHEMBL9615924 0.84 KDM1A (0.58) PTPN1CDC25BDUSP3KMT2AMAPT
SCHEMBL8056502 0.82 MAPT (0.61) PTPN1CDC25BDUSP3KMT2AMAPT
SCHEMBL8067396 0.82 MAPT (0.61) PTPN1CDC25BDUSP3KMT2AMAPT
SCHEMBL8072543 0.80 PTGS2 (0.51) PTPN1CDC25BDUSP3KDM1APTGS2
SCHEMBL8067403 0.76 MAPT (0.60) PTPN1CDC25BDUSP3KMT2AMAPT
SCHEMBL11287831 0.74 KMT2A (0.72) PTPN1CDC25BDUSP3KMT2AMAPT
SCHEMBL11758890 0.73 KMT2A (0.71) PTPN1CDC25BDUSP3KMT2AMAPT

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-0592664-B1 DERIVATIVES OF DIPHENYLTHIAZOLE WITH ANTIINFLAMMATORY ACTIVITY HISAMITSU PHARMACEUTICAL CO (JP) 2000-07-05 EP claimed