SCHEMBL8545934

SCHEMBL8545934

Cc1ccc(S(=O)(=O)Oc2ccc(OS(=O)(=O)c3ccc(C)cc3)c3c2C(=O)c2cc[n+]([O-])cc2C3=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 6/20 0.40
GAA P10253 5/20 0.40
MEN1 O00255 5/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.38
VDR P11473 1/20 0.38
DHODH Q02127 1/20 0.38
HTT P42858 1/20 0.36

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
SCHEMBL7825262 0.93 KMT2A (0.39) LMNAMAPK1KMT2AGAAMEN1
SCHEMBL7818383 0.93 LMNA (0.37) LMNAMAPK1KMT2AGAAMEN1
SCHEMBL7817749 0.93 LMNA (0.37) LMNAMAPK1KMT2AGAAMEN1
SCHEMBL594052 0.83 VDR (0.54) LMNAMAPK1KMT2AGAAMEN1
SCHEMBL8542539 0.78 LMNA (0.41) LMNAMAPK1KMT2AGAAMEN1
SCHEMBL9194706 0.77 KMT2A (0.43) LMNAMAPK1KMT2AGAAMEN1
SCHEMBL10624562 0.76 MEN1 (0.58) LMNAMAPK1KMT2AGAAMEN1
SCHEMBL8545767 0.76 MAOA (0.41) LMNAMAPK1KMT2AGAAMEN1
SCHEMBL10619779 0.74 DHODH (0.44) LMNAMAPK1KMT2AGAAMEN1
SCHEMBL29044851 0.73 VDR (0.54) LMNAMAPK1KMT2AGAAMEN1

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-0639183-B1 NITROGEN OXIDES OF AZA- AND DIAZA-ANTHRACENEDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA (IT) 1998-07-01 EP disclosed