SCHEMBL4606261

SCHEMBL4606261

O=[N+]([O-])c1ccccc1Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(Nc5ccccc5[N+](=O)[O-])cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
CASP7 P55210 1/20 0.55
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
POLB P06746 1/20 0.45
EPAS1 Q99814 2/20 0.44
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
HTT P42858 1/20 0.41
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
AKR1B1 P15121 2/20 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
SCHEMBL4607319 0.92 MAPK1 (0.64) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL497006 0.84 MAPK1 (0.73) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL3911376 0.83 ALDH1A1 (0.62) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL29824482 0.81 MAPK1 (0.68) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL25782133 0.81 MAPK1 (0.68) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL3912077 0.80 L3MBTL1 (0.62) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL3918265 0.80 MAPK1 (0.62) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL21463826 0.79 ALDH1A1 (0.60) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL4605709 0.78 MAPK1 (0.59) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL6290876 0.78 MAPT (0.54) TDP1ALDH1A1L3MBTL1MAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310522-B1 CROSSLINKABLE ELASTOMER COMPOSITION DAIKIN IND LTD (JP) 2008-07-23 EP disclosed
US-6855774-B2 Crosslinkable elastomer composition DAIKIN INDUSTRIES, LTD. (JP) 2005-02-15 US disclosed
US-20030191247-A1 Crosslinkable elastomer composition DAIKIN INDUSTRIES, LTD. (JP) 2003-10-09 US disclosed
EP-1310522-A1 CROSSLINKABLE ELASTOMER COMPOSITION Daikin Industries, Ltd. (JP) 2003-05-14 EP disclosed