SCHEMBL28937357

SCHEMBL28937357

NCN.O=C(O)C1(O)c2ccccc2-c2ccccc21

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.84
▸ TDP1 Q9NUW8 1/20 0.84
▸ APEX1 P27695 1/20 0.47
▸ S100A4 P26447 1/20 0.41
▸ PDK2 Q15119 8/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ BCAT2 O15382 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRM2 P08172 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ CHRM3 P20309 2/20 0.37

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
SCHEMBL11469925 0.92 THRB (1.00) THRBTDP1APEX1PDK2KMT2A
SCHEMBL66735 0.92 THRB (1.00) THRBTDP1APEX1PDK2KMT2A
SCHEMBL30488775 0.92 THRB (1.00) THRBTDP1APEX1PDK2KMT2A
Bromide SCHEMBL27743796 0.90 THRB (0.95) THRBTDP1APEX1PDK2KMT2A
Methyl Alcohol SCHEMBL21134117 0.88 THRB (0.91) THRBTDP1APEX1PDK2KMT2A
Bromomethane SCHEMBL208217 0.86 THRB (0.88) THRBTDP1APEX1S100A4PDK2
Dimethylamine SCHEMBL10338435 0.84 THRB (0.84) THRBTDP1APEX1PDK2KDM4E
Propanol SCHEMBL27824437 0.82 THRB (0.72) THRBTDP1APEX1PDK2CHRM2
SCHEMBL14973506 0.80 TDP1 (0.77) THRBTDP1APEX1HSP90AA1HSP90AB1
SCHEMBL4023562 0.80 THRB (0.64) THRBTDP1APEX1PDK2KMT2A

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-114025609-A High spread ULV formulations for herbicides 拜耳公司 2022-02-08 — — CN disclosed
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