SCHEMBL28069455

SCHEMBL28069455

COC(=O)C(F)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
F2 P00734 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
MAOB P27338 1/20 0.45
HPGD P15428 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45

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
SCHEMBL6983973 0.87 F2 (0.50) LMNAMAPTMEN1KMT2AHTT
SCHEMBL657614 0.84 ALDH1A1 (0.59) LMNAMAPTMEN1KMT2AHTT
SCHEMBL27679166 0.84 ALDH1A1 (0.59) LMNAMAPTMEN1KMT2AHTT
SCHEMBL28226986 0.84 TP53 (0.50) LMNAALDH1A1F2CHRNB2CHRNA4
SCHEMBL6197458 0.80 TSHR (0.55) LMNAMEN1KMT2AALDH1A1F2
SCHEMBL27261138 0.80 ALDH1A1 (0.60) LMNAMAPTMEN1KMT2AHTT
SCHEMBL16764355 0.79 F2 (0.57) LMNAMAPTMEN1KMT2AHTT
SCHEMBL27515178 0.78 ALDH1A1 (0.52) LMNAMAPTMEN1KMT2AHTT
SCHEMBL20299326 0.77 TSHR (0.52) LMNAALDH1A1F2SMN1; SMN2MAOB
SCHEMBL7671999 0.77 TSHR (0.55) LMNAMAPTMEN1KMT2AHTT

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
CN-105646328-A Quaternary ammonium salt compound and application thereof 沈阳中化农药化工研发有限公司 2016-06-08 CN disclosed