SCHEMBL2367796

SCHEMBL2367796

Cc1ccc(S(=O)(=O)N(c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
PTPRC P08575 1/20 0.52
MCOLN3 Q8TDD5 2/20 0.47
MAPT P10636 2/20 0.47
CA9 Q16790 2/20 0.47
POLB P06746 1/20 0.47
VCAM1 P19320 3/20 0.46
AGER Q15109 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
PAX8 Q06710 1/20 0.40

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
SCHEMBL6828525 0.77 MAPT (0.61) CYP3A4TSHRMCOLN3MAPTCA9
SCHEMBL6828315 0.74 C5AR1 (0.54) PTPRCMCOLN3MAPTCA9POLB
SCHEMBL294724 0.72 TSHR (1.00) CYP3A4TSHRMAPT
SCHEMBL31361989 0.71 MAPT (0.72) CYP3A4TSHRMAPTHTTNPSR1
SCHEMBL6832001 0.71 POLB (0.79) CYP3A4MCOLN3MAPTPOLBHTT
SCHEMBL6402838 0.70 ALDH1A1 (0.50) CYP3A4TSHRMCOLN3MAPTHTT
SCHEMBL10788022 0.70 PTPRC (0.59) PTPRCMCOLN3MAPTCA9HTT
SCHEMBL10956151 0.70 CA12 (0.70) PTPRCMCOLN3MAPTCA9HTT
SCHEMBL4797335 0.69 PTPRC (0.55) CYP3A4PTPRCMCOLN3MAPTCA9
SCHEMBL6259894 0.69 PTPRC (1.00) PTPRCMCOLN3MAPTCA9AGER

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-2368885-A1 Derivatives of phenazine useful to treat cancer Université de la Méditerranée (Aix-Marseille II) (FR) 2011-09-28 EP disclosed