SCHEMBL7829013

SCHEMBL7829013

CC(C)(Oc1cccc(OC(C)(C)[N+](=O)[O-])c1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
FBP1 P09467 2/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
TLR4 O00206 3/20 0.36
TLR2 O60603 3/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL5240607 0.93 FBP1 (0.47) FBP1MAPTMEN1KMT2AMAPK1
SCHEMBL7823975 0.76 FBP1 (0.39) CHRNB2CHRNA4FBP1MAPTMEN1
SCHEMBL10498187 0.74 MEN1 (0.35) FBP1MAPTMEN1KMT2AMAPK1
SCHEMBL677718 0.72 TSHR (0.55) CHRNB2CHRNA4MEN1KMT2ATSHR
SCHEMBL260934 0.71 KIF11 (0.47) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL7146151 0.71 CHRNB2 (0.55) CHRNB2CHRNA4MEN1KMT2ATSHR
SCHEMBL15228420 0.69 TSHR (0.52) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL27842046 0.69 TSHR (0.52) CHRNB2CHRNA4MEN1KMT2ATSHR
SCHEMBL27632004 0.69 TSHR (0.52) CHRNB2CHRNA4MEN1KMT2ATSHR
SCHEMBL17027024 0.69 LMNA (0.39) CHRNB2CHRNA4MAPTMEN1KMT2A

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-1097918-A1 PROCESS FOR PRODUCING 4-SUBSTITUTED-2-NITRO-FLUOROBENZENES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-09 EP disclosed