SCHEMBL4605709

SCHEMBL4605709

O=[N+]([O-])c1ccccc1Nc1cccc(C(c2cccc(Nc3ccccc3[N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CASP7 P55210 1/20 0.59
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
EPAS1 Q99814 2/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
AKR1B1 P15121 2/20 0.49
AKR1C4 P17516 2/20 0.49
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
AKR1C1 Q04828 2/20 0.49
KIF11 P52732 1/20 0.49
MPO P05164 1/20 0.46
FBP1 P09467 1/20 0.46
RAB9A P51151 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
SCHEMBL4065345 0.89 MAPK1 (0.62) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL4607319 0.85 MAPK1 (0.64) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL7167600 0.82 TDP1 (0.79) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL9575364 0.82 MAPK1 (0.60) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL26468007 0.81 TDP1 (0.77) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL2646781 0.80 AKR1B1 (0.70) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL4942171 0.79 ALDH1A1 (0.68) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL7168043 0.78 TDP1 (0.72) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL4606261 0.78 MAPK1 (0.55) MAPK1TDP1ALDH1A1L3MBTL1CASP7
SCHEMBL4062425 0.77 MAPK1 (0.57) MAPK1TDP1ALDH1A1L3MBTL1CASP7

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