SCHEMBL1075103

SCHEMBL1075103

O=C(O)c1cc(Oc2cccc(O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TTR P02766 1/20 0.51
PPOX P50336 1/20 0.51
KDM4E B2RXH2 2/20 0.50
DTYMK P23919 1/20 0.49
HPSE Q9Y251 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
AKR1C4 P17516 2/20 0.43
AKR1C1 Q04828 2/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL3889423 0.88 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11282911 0.87 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6567226 0.85 KDM4E (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL1028520 0.83 TDP1 (0.46) MEN1KMT2ATDP1TTRPPOX
SCHEMBL6567283 0.82 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10976077 0.81 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL1028818 0.81 KDM4E (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL27657761 0.80 POLB (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11712839 0.80 MAPT (0.52) MEN1KMT2ATDP1TTRKDM4E
SCHEMBL3890179 0.80 TDP1 (0.56) MEN1KMT2ATDP1TTRPPOX

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-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 WO disclosed