SCHEMBL11051493

SCHEMBL11051493

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TTR P02766 1/20 0.35
▸ PPOX P50336 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL11049687 0.94 TDP1 (0.50) PDE7ATDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11051951 0.87 TDP1 (0.40) TDP1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL11050524 0.86 TDP1 (0.37) TDP1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL11051934 0.85 MEN1 (0.54) TDP1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL11050825 0.85 KMT2A (0.39) TDP1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL10855202 0.83 TDP1 (0.48) PDE7ATDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11048860 0.82 ALDH1A1 (0.39) TDP1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL11051436 0.79 TDP1 (0.53) TDP1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL10860196 0.79 PDE7A (0.54) PDE7ATDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11049108 0.79 LMNA (0.44) TDP1SMN1; SMN2ALDH1A1MAPTHPGD

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-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
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