SCHEMBL28320340

SCHEMBL28320340

O=C(O)C(Cl)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
SRD5A2 P31213 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
CES1 P23141 3/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CES2 O00748 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
HTR2A P28223 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9722713 0.86 ALDH1A1 (0.50) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL3010141 0.82 TP53 (0.50) TDP1CES1CES2ALDH1A1LMNA
SCHEMBL11421508 0.81 MAPK1 (0.62) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL11848197 0.81 MAPT (0.50) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL3751456 0.81 CES1 (0.51) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL26555623 0.80 CA1 (0.50) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL3535210 0.80 MAPT (0.56) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL10344264 0.80 HSPB1 (0.50) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL829966 0.79 LMNA (0.59) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL28577071 0.79 LMNA (0.59) MEN1KMT2ANPC1MAPTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110143932-B Piperazinone derivatives, process for producing the same, inhibitor, and method for controlling root-parasitic weeds 南开大学 2022-09-16 CN disclosed
CN-111493078-A Use of piperazinone derivatives, an accelerator and a method for controlling root parasitic weeds 南开大学 2020-08-07 CN disclosed
CN-110143932-A Piperazinone derivs and preparation method thereof, inhibitor and the method for preventing and treating root parasitism weeds 南开大学 2019-08-20 CN disclosed