SCHEMBL10955819

SCHEMBL10955819

CCP(=O)(Cl)c1cc(Oc2ccc(Cl)cc2Br)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ PDE7A Q13946 2/20 0.44
▸ S1PR4 O95977 2/20 0.40
▸ LMNA P02545 6/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ MAPT P10636 6/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PDE7B Q9NP56 1/20 0.36

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
SCHEMBL10951206 0.90 PDE7A (0.55) TDP1PDE7AS1PR4LMNASMN1; SMN2
SCHEMBL11048611 0.89 TDP1 (0.56) TDP1PDE7AS1PR4LMNASMN1; SMN2
SCHEMBL10955246 0.85 PDE7A (0.41) TDP1PDE7AS1PR4LMNASMN1; SMN2
SCHEMBL10953832 0.82 PIN1 (0.38) TDP1S1PR4LMNASMN1; SMN2HPGD
SCHEMBL10948777 0.80 PDE7A (0.55) TDP1PDE7AS1PR4LMNASMN1; SMN2
SCHEMBL10956448 0.78 PPARG (0.38) TDP1PDE7AS1PR4LMNASMN1; SMN2
SCHEMBL10953054 0.78 ALDH1A1 (0.48) TDP1S1PR4LMNASMN1; SMN2HPGD
SCHEMBL10853995 0.78 TDP1 (0.60) TDP1LMNASMN1; SMN2HPGDMAPT
SCHEMBL10860196 0.78 PDE7A (0.54) TDP1PDE7AS1PR4LMNASMN1; SMN2
SCHEMBL10949311 0.77 TDP1 (0.46) TDP1PDE7AS1PR4LMNASMN1; SMN2

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
US-4509970-A Substituted phenylphosphinyloxy- and phosphinylthio-iminocarboxylates useful for the control of weeds ZOECON CORPORATION (US) 1985-04-09 — — US disclosed
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