SCHEMBL28326421

SCHEMBL28326421

C/C=C\C(=O)Oc1c([N+](=O)[O-])cc(CCCCCC(C)C)cc1[N+](=O)[O-].Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
FUT7 Q11130 1/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 3/20 0.32
CYP2C19 P33261 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PLK1 P53350 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
RAB9A P51151 1/20 0.30

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
SCHEMBL21233 0.91 FUT7 (0.39) GAAHPGDFUT7LMNANPC1
Diphenylether SCHEMBL28220905 0.87 MEN1 (0.39) GAAHPGDFUT7LMNAPOLB
Diphenylamine SCHEMBL27816358 0.86 GAA (0.36) GAAHPGDPOLBCYP2C19KMT2A
SCHEMBL906659 0.79 THRB (0.44) FUT7ALDH1A1PLK1PLK3
SCHEMBL906661 0.79 THRB (0.44) FUT7ALDH1A1PLK1PLK3
SCHEMBL7198085 0.77 TDP1 (0.39) GAAFUT7LMNANPC1POLB
SCHEMBL7198081 0.77 TDP1 (0.39) GAAFUT7LMNANPC1POLB
Dipyrithione SCHEMBL28227320 0.77 SLC2A1 (0.32) GAAHPGDALDH1A1
SCHEMBL28267478 0.76 TDP1 (0.64) ALDH1A1
SCHEMBL14965454 0.74 MEN1 (0.49) POLBCYP2C19L3MBTL1KMT2AMEN1

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-110418574-A FUNGICIDAL COMBINATIONS UPL LTD 2019-11-05 CN disclosed