SCHEMBL25844824

SCHEMBL25844824

CC(I)C(=O)Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.39
PTPN1 P18031 1/20 0.38
PDK1 Q15118 1/20 0.36
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
EPAS1 Q99814 1/20 0.32
HTT P42858 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL25845023 0.89 ALDH3A1 (0.39) ALDH3A1PTPN1PDK1MAPTTHRB
SCHEMBL25844801 0.83 CA2 (0.32) NPSR1
SCHEMBL25844818 0.83 CA2 (0.32) NPSR1
SCHEMBL25844814 0.82 SCN9A (0.33) EPAS1
SCHEMBL25844808 0.82 CA2 (0.34) ALDH1A1NPSR1EPAS1
SCHEMBL25844798 0.80 ELANE (0.40) MAPT
SCHEMBL25844811 0.78 CA2 (0.33) ALDH1A1EPAS1
SCHEMBL25844800 0.75 SLC2A1 (0.33) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL25844820 0.74
SCHEMBL25844803 0.74

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-11709426-B2 Resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-25 US disclosed