SCHEMBL7081663

SCHEMBL7081663

O=[N+]([O-])c1cc(Oc2ncccn2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HTT P42858 2/20 0.48
HIF1A Q16665 1/20 0.47
VCAM1 P19320 1/20 0.45
RAB9A P51151 3/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 1/20 0.43
RECQL P46063 1/20 0.43
TDO2 P48775 1/20 0.43
BLM P54132 1/20 0.43
CASP6 P55212 1/20 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
SCHEMBL17423731 0.82 ALDH1A1 (0.51) TLR4TLR2ALDH1A1HTTRAB9A
SCHEMBL18957469 0.79 ALDH1A1 (0.51) TLR4TLR2ALDH1A1HTTRAB9A
SCHEMBL29851662 0.79 ALDH1A1 (0.51) TLR4TLR2ALDH1A1HTTRAB9A
SCHEMBL3192746 0.77 ALDH1A1 (0.56) ALDH1A1HTTHIF1AVCAM1RAB9A
SCHEMBL29744326 0.77 ALDH1A1 (0.56) ALDH1A1HTTHIF1AVCAM1RAB9A
SCHEMBL6949963 0.74 ALDH1A1 (0.43) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL1189617 0.73 MAPT (0.62) ALDH1A1HIF1AVCAM1RAB9AMEN1
SCHEMBL29739504 0.73 MAPT (0.62) ALDH1A1HIF1AVCAM1RAB9AMEN1
SCHEMBL27631548 0.73 ALDH1A1 (0.51) ALDH1A1HTTHIF1AVCAM1RAB9A
SCHEMBL2716157 0.73 TLR4 (0.58) TLR4TLR2ALDH1A1HTTRAB9A

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-1144380-A4 A META-NITRO PHENOL DERIVATIVE AND A PROCESS FOR PRODUCING IT ISHIHARA SANGYO KAISHA (JP) 2003-11-26 EP disclosed
CN-1376145-A A meta-nitro phenol derivative and a process for producing it ISHIHARA SANGYO KAISHA (JP) 2002-10-23 CN disclosed
EP-1144380-A1 A META-NITRO PHENOL DERIVATIVE AND A PROCESS FOR PRODUCING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-17 EP disclosed
WO-2000032573-A1 A META-NITRO PHENOL DERIVATIVE AND A PROCESS FOR PRODUCING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-06-08 WO disclosed