SCHEMBL10951206

SCHEMBL10951206

CCP(=O)(Cl)c1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ LMNA P02545 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ S1PR4 O95977 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL11048611 0.92 TDP1 (0.56) PDE7ATDP1MAPTSMN1; SMN2LMNA
SCHEMBL10955819 0.90 TDP1 (0.44) PDE7ATDP1MAPTSMN1; SMN2LMNA
SCHEMBL10955246 0.88 PDE7A (0.41) PDE7ATDP1MAPTSMN1; SMN2LMNA
SCHEMBL10860196 0.87 PDE7A (0.54) PDE7ATDP1MAPTSMN1; SMN2LMNA
SCHEMBL11132074 0.85 PDE7A (0.54) PDE7ATDP1MAPTSMN1; SMN2LMNA
SCHEMBL10953054 0.81 ALDH1A1 (0.48) TDP1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL11000058 0.81 PIN1 (0.40) PDE7ATDP1MAPTSMN1; SMN2LMNA
SCHEMBL10956448 0.81 PPARG (0.38) PDE7ATDP1MAPTSMN1; SMN2LMNA
SCHEMBL10853995 0.81 TDP1 (0.60) TDP1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL10855202 0.80 TDP1 (0.48) PDE7ATDP1MAPTSMN1; SMN2LMNA

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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