SCHEMBL30113041

SCHEMBL30113041

O=C(O)C(F)(F)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
CTSB P07858 2/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
CASP6 P55212 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSP90AA1 P07900 2/20 0.41
GAA P10253 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8564975 0.82 PDE10A (0.51) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL2012766 0.81 ALDH1A1 (0.47) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL29133299 0.81 POLB (0.47) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL30018052 0.79 RAB9A (0.49) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10651130 0.79 ALDH1A1 (0.45) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL2001300 0.75 NPSR1 (0.57) PDE10APOLBALDH1A1MEN1KMT2A
SCHEMBL17420642 0.73 SSTR4 (0.42) KMT2ARAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL12003841 0.73 NPSR1 (0.51) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL17420680 0.73 SSTR4 (0.45) ALDH1A1GAAHTT
SCHEMBL30113073 0.73 HTT (0.46) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA

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
EP-4091449-A1 WEED CONTROL METHOD Syngenta Crop Protection AG (CH) 2022-11-23 EP disclosed