SCHEMBL7823975

SCHEMBL7823975

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.39
MAPT P10636 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
TLR4 O00206 2/20 0.34
TLR2 O60603 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
ALPG P10696 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PPARG P37231 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
SCHEMBL7829013 0.76 CHRNB2 (0.41) FBP1MAPTMEN1KMT2AMAPK1
SCHEMBL19387684 0.73 CHRNB2 (0.51) MEN1KMT2ACHRNB2CHRNA4TDP1
SCHEMBL7823980 0.73 PPARG (0.35) MAPTTLR4TLR2HTTSMN1; SMN2
SCHEMBL863137 0.72 PPARG (0.37) FBP1MAPK1KDM4ETDP1PPARG
SCHEMBL9768399 0.72 PTPRC (0.39) FBP1MAPTMEN1KMT2AMAPK1
SCHEMBL8211034 0.71 ALDH1A1 (0.37) FBP1MEN1KMT2ARECQLKDM4E
SCHEMBL7913086 0.70 MEN1 (0.49) MAPTMEN1KMT2ACHRNB2CHRNA4
SCHEMBL5240607 0.70 FBP1 (0.47) FBP1MAPTMEN1KMT2AMAPK1
SCHEMBL11659680 0.69 PPARA (0.39) KMT2APPARGPPARATSHRMAOB
SCHEMBL18556277 0.69 TAAR1 (0.34) MAPTMEN1KMT2ASMN1; SMN2PPARG

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